3-chloranyl-N-(2-methylpropyl)-4-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethoxy]benzenesulfonamide

Systemtic Name: 3-chloranyl-N-(2-methylpropyl)-4-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethoxy]benzenesulfonamide Openeye Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethoxy]-3-chloro-N-isobutyl-benzenesulfonamide CAS Name: 3-chloro-N-(2-methylpropyl)-4-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethoxy]benzenesulfonamide IUPAC Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethoxy]-3-chloro-N-(2-methylpropyl)benzenesulfonamide Traditional Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethoxy]-3-chloro-N-isobutyl-benzenesulfonamide Formula: C23H31ClN3O4S+ MolecularWeight: 481.02794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNS(=O)(=O)C1=CC(=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)Cl

Isomeric SMILES

CC(C)CNS(=O)(=O)C1=CC(=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C23H30ClN3O4S/c1-18(2)15-25-32(29,30)20-8-9-22(21(24)14-20)31-17-23(28)27-12-10-26(11-13-27)16-19-6-4-3-5-7-19/h3-9,14,18,25H,10-13,15-17H2,1-2H3/p+1