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

Systemtic Name: N-(4-methylphenyl)-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-(p-tolyl)benzenesulfonamide CAS Name: N-(4-methylphenyl)-4-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethoxy]benzenesulfonamide IUPAC Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethoxy]-N-(4-methylphenyl)benzenesulfonamide Traditional Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethoxy]-N-(p-tolyl)benzenesulfonamide Formula: C26H30N3O4S+ MolecularWeight: 480.5991

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O4S/c1-21-7-9-23(10-8-21)27-34(31,32)25-13-11-24(12-14-25)33-20-26(30)29-17-15-28(16-18-29)19-22-5-3-2-4-6-22/h2-14,27H,15-20H2,1H3/p+1