N-(3-methylsulfanylphenyl)-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-benzamide

Systemtic Name: N-(3-methylsulfanylphenyl)-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-benzamide Openeye Name: 3-(4-benzylpiperazin-1-yl)sulfonyl-N-(3-methylsulfanylphenyl)benzamide CAS Name: N-[3-(methylthio)phenyl]-3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: 3-(4-benzylpiperazin-1-yl)sulfonyl-N-(3-methylsulfanylphenyl)benzamide Traditional Name: 3-(4-benzylpiperazino)sulfonyl-N-[3-(methylthio)phenyl]benzamide Formula: C25H27N3O3S2 MolecularWeight: 481.63018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3S2/c1-32-23-11-6-10-22(18-23)26-25(29)21-9-5-12-24(17-21)33(30,31)28-15-13-27(14-16-28)19-20-7-3-2-4-8-20/h2-12,17-18H,13-16,19H2,1H3,(H,26,29)