[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-(2-oxidanylpropylamino)benzenesulfonate

Systemtic Name: [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-(2-oxidanylpropylamino)benzenesulfonate Openeye Name: [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-(2-hydroxypropylamino)benzenesulfonate CAS Name: 4-(2-hydroxypropylamino)benzenesulfonic acid [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-(2-hydroxypropylamino)benzenesulfonate Traditional Name: 4-(2-hydroxypropylamino)benzenesulfonic acid [2-(carbomethoxyamino)-3H-benzimidazol-5-yl] ester Formula: C18H20N4O6S MolecularWeight: 420.4396

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(N3)NC(=O)OC)O

Isomeric SMILES

CC(CNC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(N3)NC(=O)OC)O

InChI

InChI=1S/C18H20N4O6S/c1-11(23)10-19-12-3-6-14(7-4-12)29(25,26)28-13-5-8-15-16(9-13)21-17(20-15)22-18(24)27-2/h3-9,11,19,23H,10H2,1-2H3,(H2,20,21,22,24)