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

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-(4-aminocarbonylpiperidin-1-yl)benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(4-carbamoyl-1-piperidyl)benzenesulfonate CAS Name: 4-(4-carbamoyl-1-piperidinyl)benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(4-carbamoylpiperidin-1-yl)benzenesulfonate Traditional Name: 4-(4-carbamoylpiperidino)benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C23H25N5O5S MolecularWeight: 483.5401

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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)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O5S/c24-21(29)14-9-11-28(12-10-14)16-3-6-18(7-4-16)34(31,32)33-17-5-8-19-20(13-17)26-23(25-19)27-22(30)15-1-2-15/h3-8,13-15H,1-2,9-12H2,(H2,24,29)(H2,25,26,27,30)