3-[(4-bromophenyl)sulfonylamino]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide

Systemtic Name: 3-[(4-bromophenyl)sulfonylamino]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide Openeye Name: 3-[(4-bromophenyl)sulfonylamino]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide CAS Name: 3-[(4-bromophenyl)sulfonylamino]-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]propanamide IUPAC Name: 3-[(4-bromophenyl)sulfonylamino]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide Traditional Name: 3-(brosylamino)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propionamide Formula: C21H33BrN3O3S+ MolecularWeight: 487.47402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br)[NH+]3CCCCC3

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br)[NH+]3CCCCC3

InChI

InChI=1S/C21H32BrN3O3S/c22-18-7-9-19(10-8-18)29(27,28)24-14-11-20(26)23-17-21(12-3-1-4-13-21)25-15-5-2-6-16-25/h7-10,24H,1-6,11-17H2,(H,23,26)/p+1