N-(2,5-dimethylphenyl)-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide

Systemtic Name: N-(2,5-dimethylphenyl)-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-(2,5-dimethylphenyl)benzenesulfonamide CAS Name: N-(2,5-dimethylphenyl)-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]benzenesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(2,5-dimethylphenyl)benzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N-(2,5-dimethylphenyl)benzenesulfonamide Formula: C27H32N3O3S+ MolecularWeight: 478.62628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H31N3O3S/c1-22-13-14-23(2)26(19-22)30(34(32,33)25-11-7-4-8-12-25)21-27(31)29-17-15-28(16-18-29)20-24-9-5-3-6-10-24/h3-14,19H,15-18,20-21H2,1-2H3/p+1