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hesperadin

PropertiesImage
MNX_IDMNXM105542 Image of MNXM105542
referencechebi:70726
formulaC29H32N4O3S
global charge0
mol weight516.667
InChIKeyGLDSKRNGVVYJAB-DQSJHHFOSA-N
InChIInChI=1S/C29H32N4O3S/c1-2-37(35,36)32-24-15-16-26-25(19-24)27(29(34)31-26)28(22-9-5-3-6-10-22)30-23-13-11-21(12-14-23)20-33-17-7-4-8-18-33/h3,5-6,9-16,19,30,32H,2,4,7-8,17-18,20H2,1H3,(H,31,34)/b28-27-
SMILESCCS(=O)(=O)NC1=CC2=C(C=C1)NC(=O)/C2=C(\NC1=CC=C(CN2CCCCC2)C=C1)C1=CC=CC=C1
MNX internals
InChI (mnx)InChI=1/C29H32N4O3S/c1-2-37(35,36)32-24-15-16-26-25(19-24)27(29(34)31-26)28(22-9-5-3-6-10-22)30-23-13-11-21(12-14-23)20-33-17-7-4-8-18-33/h3,5-6,9-16,19,30,32H,2,4,7-8,17-18,20H2,1H3,(H,31,34)/b28-27- Image of MNXM105542
SMILES (mnx)[CH3:1][CH2:2][S:37]([NH:32][C:24]1=[CH:19][C:25]2=[C:26]([CH:16]=[CH:15]1)[N:31]=[C:29]([OH:34])/[C:27]2=[C:28](/[C:22]1=[CH:9][CH:5]=[CH:3][CH:6]=[CH:10]1)[NH:30][C:23]1=[CH:14][CH:12]=[C:21]([CH2:20][N:33]2[CH2:17][CH2:7][CH2:4][CH2:8][CH2:18]2)[CH:11]=[CH:13]1)(=[O:35])=[O:36]
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:70726
chebi:70726
GLDSKRNGVVYJAB-DQSJHHFOSA-N 		hesperadin
N-[(3Z)-2-oxo-3-(phenyl{[4-(piperidin-1-ylmethyl)phenyl]amino}methylidene)-2,3-dihydro-1H-indol-5-yl]ethanesulfonamide
hesperadine