4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: 4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzenesulfonamide CAS Name: 4-methyl-N-[2-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzenesulfonamide Traditional Name: N-benzyl-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzenesulfonamide Formula: C26H30N3O3S+ MolecularWeight: 464.5997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3C(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3C(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C26H29N3O3S/c1-21-12-14-23(15-13-21)33(31,32)29(20-22-8-4-3-5-9-22)25-11-7-6-10-24(25)26(30)28-18-16-27(2)17-19-28/h3-15H,16-20H2,1-2H3/p+1