N-[(S)-(4-methylphenyl)-phenyl-methyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C26H29N3O3S/c1-20-11-13-22(14-12-20)25(21-7-4-3-5-8-21)27-26(30)23-9-6-10-24(19-23)33(31,32)29-17-15-28(2)16-18-29/h3-14,19,25H,15-18H2,1-2H3,(H,27,30)/p+1/t25-/m0/s1