[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-piperidin-1-ylbenzenesulfonate

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-piperidin-1-ylbenzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(1-piperidyl)benzenesulfonate CAS Name: 4-(1-piperidinyl)benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-piperidin-1-ylbenzenesulfonate Traditional Name: 4-piperidinobenzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)C5CC5

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)C5CC5

InChI

InChI=1S/C22H24N4O4S/c27-21(15-4-5-15)25-22-23-19-11-8-17(14-20(19)24-22)30-31(28,29)18-9-6-16(7-10-18)26-12-2-1-3-13-26/h6-11,14-15H,1-5,12-13H2,(H2,23,24,25,27)