4-chloranyl-3-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-chloranyl-3-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-chloro-N-isopropyl-3-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: 4-chloro-3-[oxo-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-4-iumyl]methyl]-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-chloro-3-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-1-carbonyl]-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-chloro-N-isopropyl-3-[4-(2-keto-2-piperidino-ethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C21H32ClN4O4S+ MolecularWeight: 472.02118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCCC3

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCCC3

InChI

InChI=1S/C21H31ClN4O4S/c1-16(2)23-31(29,30)17-6-7-19(22)18(14-17)21(28)26-12-10-24(11-13-26)15-20(27)25-8-4-3-5-9-25/h6-7,14,16,23H,3-5,8-13,15H2,1-2H3/p+1