N-(4-methylphenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(phenylmethyl)benzamide

Systemtic Name: N-(4-methylphenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(p-tolyl)benzamide CAS Name: N-(4-methylphenyl)-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-N-(4-methylphenyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-benzyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(p-tolyl)benzamide Formula: C26H30N3O3S+ MolecularWeight: 464.5997

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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