[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[(phenylmethyl)amino]benzenesulfonate

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[(phenylmethyl)amino]benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(benzylamino)benzenesulfonate CAS Name: 4-[(phenylmethyl)amino]benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(benzylamino)benzenesulfonate Traditional Name: 4-(benzylamino)benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C24H22N4O4S MolecularWeight: 462.52088

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NCC5=CC=CC=C5

Isomeric SMILES

C1CC1C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NCC5=CC=CC=C5

InChI

InChI=1S/C24H22N4O4S/c29-23(17-6-7-17)28-24-26-21-13-10-19(14-22(21)27-24)32-33(30,31)20-11-8-18(9-12-20)25-15-16-4-2-1-3-5-16/h1-5,8-14,17,25H,6-7,15H2,(H2,26,27,28,29)