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

Systemtic Name: N-(2-methylpropyl)-4-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide Openeye Name: 4-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-propyl]-N-isobutyl-benzenesulfonamide CAS Name: N-(2-methylpropyl)-4-[3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]benzenesulfonamide IUPAC Name: 4-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]-N-(2-methylpropyl)benzenesulfonamide Traditional Name: 4-[3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]-N-isobutyl-benzenesulfonamide Formula: C24H34N3O3S+ MolecularWeight: 444.61006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N3O3S/c1-20(2)18-25-31(29,30)23-11-8-21(9-12-23)10-13-24(28)27-16-14-26(15-17-27)19-22-6-4-3-5-7-22/h3-9,11-12,20,25H,10,13-19H2,1-2H3/p+1