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

Systemtic Name: 3-methyl-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]-N-isobutyl-3-methyl-benzenesulfonamide CAS Name: 3-methyl-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-methyl-N-(2-methylpropyl)benzenesulfonamide Traditional Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethoxy]-N-isobutyl-3-methyl-benzenesulfonamide Formula: C24H34N3O4S+ MolecularWeight: 460.60946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NCC(C)C)OCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NCC(C)C)OCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H33N3O4S/c1-19(2)16-25-32(29,30)22-9-10-23(20(3)15-22)31-18-24(28)27-13-11-26(12-14-27)17-21-7-5-4-6-8-21/h4-10,15,19,25H,11-14,16-18H2,1-3H3/p+1