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

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-(4-oxidanylpiperidin-1-yl)benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(4-hydroxy-1-piperidyl)benzenesulfonate CAS Name: 4-(4-hydroxy-1-piperidinyl)benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(4-hydroxypiperidin-1-yl)benzenesulfonate Traditional Name: 4-(4-hydroxypiperidino)benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C22H24N4O5S MolecularWeight: 456.51476

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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(CC5)O

Isomeric SMILES

C1CC1C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)N5CCC(CC5)O

InChI

InChI=1S/C22H24N4O5S/c27-16-9-11-26(12-10-16)15-3-6-18(7-4-15)32(29,30)31-17-5-8-19-20(13-17)24-22(23-19)25-21(28)14-1-2-14/h3-8,13-14,16,27H,1-2,9-12H2,(H2,23,24,25,28)