{4-[2,2-bis(5-methyl-1,2,4-oxadiazol-3-yl)-3-phenylpropyl]phenyl}sulfamic acid

Properties Image MNX_ID MNXM39830 reference chebi:40118 formula C21H21N5O5S global charge 0 mol weight 455.496 InChIKey SXDBFKLPNPUPRI-UHFFFAOYSA-N InChI InChI=1S/C21H21N5O5S/c1-14-22-19(24-30-14)21(20-23-15(2)31-25-20,12-16-6-4-3-5-7-16)13-17-8-10-18(11-9-17)26-32(27,28)29/h3-11,26H,12-13H2,1-2H3,(H,27,28,29) SMILES CC1=NC(C(CC2=CC=CC=C2)(CC2=CC=C(NS(=O)(=O)O)C=C2)C2=NOC(C)=N2)=NO1 MNX internals InChI (mnx) InChI=1/C21H21N5O5S/c1-14-22-19(24-30-14)21(20-23-15(2)31-25-20,12-16-6-4-3-5-7-16)13-17-8-10-18(11-9-17)26-32(27,28)29/h3-11,26H,12-13H2,1-2H3,(H,27,28,29) SMILES (mnx) [CH3:1][C:14]1=[N:22][C:19]([C:21]([CH2:12][C:16]2=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]2)([CH2:13][C:17]2=[CH:9][CH:11]=[C:18]([NH:26][S:32]([OH:27])(=[O:28])=[O:29])[CH:10]=[CH:8]2)[C:20]2=[N:25][O:31][C:15]([CH3:2])=[N:23]2)=[N:24][O:30]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0