[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-(1-azabicyclo[2.2.2]octan-3-ylamino)benzenesulfonate

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-(1-azabicyclo[2.2.2]octan-3-ylamino)benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(quinuclidin-3-ylamino)benzenesulfonate CAS Name: 4-(1-azabicyclo[2.2.2]octan-3-ylamino)benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(1-azabicyclo[2.2.2]octan-3-ylamino)benzenesulfonate Traditional Name: 4-(quinuclidin-3-ylamino)benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C24H27N5O4S MolecularWeight: 481.56728

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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)NC5CN6CCC5CC6

Isomeric SMILES

C1CC1C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NC5CN6CCC5CC6

InChI

InChI=1S/C24H27N5O4S/c30-23(16-1-2-16)28-24-26-20-8-5-18(13-21(20)27-24)33-34(31,32)19-6-3-17(4-7-19)25-22-14-29-11-9-15(22)10-12-29/h3-8,13,15-16,22,25H,1-2,9-12,14H2,(H2,26,27,28,30)