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

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[[3-(hydroxymethyl)phenyl]amino]benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[3-(hydroxymethyl)anilino]benzenesulfonate CAS Name: 4-[3-(hydroxymethyl)anilino]benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[3-(hydroxymethyl)anilino]benzenesulfonate Traditional Name: 4-(3-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(=C5)CO

Isomeric SMILES

C1CC1C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NC5=CC=CC(=C5)CO

InChI

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