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

Systemtic Name: 4-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]-N-(2-methylpropyl)benzenesulfonamide Openeye Name: N-isobutyl-4-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxo-propyl]benzenesulfonamide CAS Name: 4-[3-(4-methyl-1-piperazin-4-iumyl)-3-oxopropyl]-N-(2-methylpropyl)benzenesulfonamide IUPAC Name: 4-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxopropyl]-N-(2-methylpropyl)benzenesulfonamide Traditional Name: N-isobutyl-4-[3-keto-3-(4-methylpiperazin-4-ium-1-yl)propyl]benzenesulfonamide Formula: C18H30N3O3S+ MolecularWeight: 368.5141

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O3S/c1-15(2)14-19-25(23,24)17-7-4-16(5-8-17)6-9-18(22)21-12-10-20(3)11-13-21/h4-5,7-8,15,19H,6,9-14H2,1-3H3/p+1