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5-{[2-(iodoacetamido)ethyl]amino}naphthalene-1-sulfonic acid

PropertiesImage
MNX_IDMNXM38002 Image of MNXM38002
referencechebi:58984
formulaC14H15IN2O4S
global charge0
mol weight434.255
InChIKeyZMERMCRYYFRELX-UHFFFAOYSA-N
InChIInChI=1S/C14H15IN2O4S/c15-9-14(18)17-8-7-16-12-5-1-4-11-10(12)3-2-6-13(11)22(19,20)21/h1-6,16H,7-9H2,(H,17,18)(H,19,20,21)
SMILESO=C(CI)NCCNC1=C2C=CC=C(S(=O)(=O)O)C2=CC=C1
MNX internals
InChI (mnx)InChI=1/C14H15IN2O4S/c15-9-14(18)17-8-7-16-12-5-1-4-11-10(12)3-2-6-13(11)22(19,20)21/h1-6,16H,7-9H2,(H,17,18)(H,19,20,21) Image of MNXM38002
SMILES (mnx)[CH:1]1=[CH:4][C:11]2=[C:10]([CH:3]=[CH:2][CH:6]=[C:13]2[S:22]([OH:19])(=[O:20])=[O:21])[C:12]([NH:16][CH2:7][CH2:8][N:17]=[C:14]([CH2:9][I:15])[OH:18])=[CH:5]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58984
chebi:58984
ZMERMCRYYFRELX-UHFFFAOYSA-N 		5-{[2-(iodoacetamido)ethyl]amino}naphthalene-1-sulfonic acid
1,5-I-Aedans
5-{[2-(iodoacetamido)ethyl]amino}naphthalene-1-sulfonic acid
I-AED
IAEDANS
N-(Iodoacetylaminoethyl)-5-naphthylamine-1-sulfonic acid
N-iodoacetyl-N'-(5-sulfo-1-naphthyl)ethylenediamine
N-iodoacetyl-N'-(5-sulfonic-1-napthyl)ethylene-diamine

seed.compound:cpd26112
seedM:cpd26112
ZMERMCRYYFRELX-UHFFFAOYSA-M 		1,5-IAEDANS
5-((2-iodoacetamido)ethyl)-1-aminonapthalene sulfate

metacyc.compound:CPD0-1363
metacycM:CPD0-1363
ZMERMCRYYFRELX-UHFFFAOYSA-M 		5-((2-iodoacetamido)ethyl)-1-aminonapthalene sulfate
1,5-IAEDANS

seedM:M_cpd26112 		secondary/obsolete/fantasy identifier