2-(2-methylphenyl)sulfanyl-N-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]ethanamide

Systemtic Name: 2-(2-methylphenyl)sulfanyl-N-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]ethanamide Openeye Name: 2-(o-tolylsulfanyl)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide CAS Name: 2-[(2-methylphenyl)thio]-N-[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]acetamide IUPAC Name: 2-(2-methylphenyl)sulfanyl-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide Traditional Name: N-[3-(3-ketopiperazino)sulfonylphenyl]-2-(o-tolylthio)acetamide Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C19H21N3O4S2/c1-14-5-2-3-8-17(14)27-13-19(24)21-15-6-4-7-16(11-15)28(25,26)22-10-9-20-18(23)12-22/h2-8,11H,9-10,12-13H2,1H3,(H,20,23)(H,21,24)