N-(2-methylsulfanylphenyl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(2-methylsulfanylphenyl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(2-methylsulfanylphenyl)-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[2-(methylthio)phenyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(2-methylsulfanylphenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: 3-(3-ketopiperazino)sulfonyl-N-[2-(methylthio)phenyl]benzamide Formula: C18H19N3O4S2 MolecularWeight: 405.49116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C18H19N3O4S2/c1-26-16-8-3-2-7-15(16)20-18(23)13-5-4-6-14(11-13)27(24,25)21-10-9-19-17(22)12-21/h2-8,11H,9-10,12H2,1H3,(H,19,22)(H,20,23)