[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[1,3-bis(oxidanyl)propan-2-ylamino]benzenesulfonate

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[1,3-bis(oxidanyl)propan-2-ylamino]benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]benzenesulfonate CAS Name: 4-(1,3-dihydroxypropan-2-ylamino)benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(1,3-dihydroxypropan-2-ylamino)benzenesulfonate Traditional Name: 4-[(2-hydroxy-1-methylol-ethyl)amino]benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C20H22N4O6S MolecularWeight: 446.47688

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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)NC(CO)CO

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O6S/c25-10-14(11-26)21-13-3-6-16(7-4-13)31(28,29)30-15-5-8-17-18(9-15)23-20(22-17)24-19(27)12-1-2-12/h3-9,12,14,21,25-26H,1-2,10-11H2,(H2,22,23,24,27)