[2-oxidanylidene-2-[(1-piperidin-1-ium-1-ylcyclohexyl)methylamino]ethyl] 4-(dimethylsulfamoyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[(1-piperidin-1-ium-1-ylcyclohexyl)methylamino]ethyl] 4-(dimethylsulfamoyl)benzoate Openeye Name: [2-oxo-2-[(1-piperidin-1-ium-1-ylcyclohexyl)methylamino]ethyl] 4-(dimethylsulfamoyl)benzoate CAS Name: 4-(dimethylsulfamoyl)benzoic acid [2-oxo-2-[[1-(1-piperidin-1-iumyl)cyclohexyl]methylamino]ethyl] ester IUPAC Name: [2-oxo-2-[(1-piperidin-1-ium-1-ylcyclohexyl)methylamino]ethyl] 4-(dimethylsulfamoyl)benzoate Traditional Name: 4-(dimethylsulfamoyl)benzoic acid [2-keto-2-[(1-piperidin-1-ium-1-ylcyclohexyl)methylamino]ethyl] ester Formula: C23H36N3O5S+ MolecularWeight: 466.61404

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NCC2(CCCCC2)[NH+]3CCCCC3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NCC2(CCCCC2)[NH+]3CCCCC3

InChI

InChI=1S/C23H35N3O5S/c1-25(2)32(29,30)20-11-9-19(10-12-20)22(28)31-17-21(27)24-18-23(13-5-3-6-14-23)26-15-7-4-8-16-26/h9-12H,3-8,13-18H2,1-2H3,(H,24,27)/p+1