N-[2-(4-methylphenyl)sulfanylethyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: 3-(3-oxopiperazin-1-yl)sulfonyl-N-[2-(p-tolylsulfanyl)ethyl]benzamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: 3-(3-ketopiperazino)sulfonyl-N-[2-(p-tolylthio)ethyl]benzamide Formula: C20H23N3O4S2 MolecularWeight: 433.54432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C20H23N3O4S2/c1-15-5-7-17(8-6-15)28-12-10-22-20(25)16-3-2-4-18(13-16)29(26,27)23-11-9-21-19(24)14-23/h2-8,13H,9-12,14H2,1H3,(H,21,24)(H,22,25)