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

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[(1-aminocarbonylpiperidin-4-yl)methylamino]benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[(1-carbamoyl-4-piperidyl)methylamino]benzenesulfonate CAS Name: 4-[(1-carbamoyl-4-piperidinyl)methylamino]benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[(1-carbamoylpiperidin-4-yl)methylamino]benzenesulfonate Traditional Name: 4-[(1-carbamoyl-4-piperidyl)methylamino]benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C24H28N6O5S MolecularWeight: 512.58132

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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)NCC5CCN(CC5)C(=O)N

Isomeric SMILES

C1CC1C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NCC5CCN(CC5)C(=O)N

InChI

InChI=1S/C24H28N6O5S/c25-23(32)30-11-9-15(10-12-30)14-26-17-3-6-19(7-4-17)36(33,34)35-18-5-8-20-21(13-18)28-24(27-20)29-22(31)16-1-2-16/h3-8,13,15-16,26H,1-2,9-12,14H2,(H2,25,32)(H2,27,28,29,31)