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

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[[2-(hydroxymethyl)phenyl]amino]benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[2-(hydroxymethyl)anilino]benzenesulfonate CAS Name: 4-[2-(hydroxymethyl)anilino]benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[2-(hydroxymethyl)anilino]benzenesulfonate Traditional Name: 4-(2-methylolanilino)benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C24H22N4O5S MolecularWeight: 478.52028

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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)NC5=CC=CC=C5CO

Isomeric SMILES

C1CC1C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NC5=CC=CC=C5CO

InChI

InChI=1S/C24H22N4O5S/c29-14-16-3-1-2-4-20(16)25-17-7-10-19(11-8-17)34(31,32)33-18-9-12-21-22(13-18)27-24(26-21)28-23(30)15-5-6-15/h1-4,7-13,15,25,29H,5-6,14H2,(H2,26,27,28,30)