[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-(3-oxidanylpyrrolidin-1-yl)benzenesulfonate

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-(3-oxidanylpyrrolidin-1-yl)benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(3-hydroxypyrrolidin-1-yl)benzenesulfonate CAS Name: 4-(3-hydroxy-1-pyrrolidinyl)benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(3-hydroxypyrrolidin-1-yl)benzenesulfonate Traditional Name: 4-(3-hydroxypyrrolidino)benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C21H22N4O5S MolecularWeight: 442.48818

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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)N5CCC(C5)O

Isomeric SMILES

C1CC1C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)N5CCC(C5)O

InChI

InChI=1S/C21H22N4O5S/c26-15-9-10-25(12-15)14-3-6-17(7-4-14)31(28,29)30-16-5-8-18-19(11-16)23-21(22-18)24-20(27)13-1-2-13/h3-8,11,13,15,26H,1-2,9-10,12H2,(H2,22,23,24,27)