N-[4-methylsulfanyl-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]butan-2-yl]benzamide

Systemtic Name: N-[4-methylsulfanyl-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]butan-2-yl]benzamide Openeye Name: N-[1-[4-(benzenesulfonyl)piperazine-1-carbonyl]-3-methylsulfanyl-propyl]benzamide CAS Name: N-[1-[4-(benzenesulfonyl)-1-piperazinyl]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: N-[1-[4-(benzenesulfonyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: N-[1-(4-besylpiperazine-1-carbonyl)-3-(methylthio)propyl]benzamide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4S2/c1-30-17-12-20(23-21(26)18-8-4-2-5-9-18)22(27)24-13-15-25(16-14-24)31(28,29)19-10-6-3-7-11-19/h2-11,20H,12-17H2,1H3,(H,23,26)