4-[(4-methylphenyl)-methylsulfonyl-amino]-N-(2-phenylsulfanylethyl)butanamide

Systemtic Name: 4-[(4-methylphenyl)-methylsulfonyl-amino]-N-(2-phenylsulfanylethyl)butanamide Openeye Name: 4-(4-methyl-N-methylsulfonyl-anilino)-N-(2-phenylsulfanylethyl)butanamide CAS Name: 4-(4-methyl-N-methylsulfonylanilino)-N-[2-(phenylthio)ethyl]butanamide IUPAC Name: 4-(4-methyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)butanamide Traditional Name: 4-(N-mesyl-4-methyl-anilino)-N-[2-(phenylthio)ethyl]butyramide Formula: C20H26N2O3S2 MolecularWeight: 406.56204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCCC(=O)NCCSC2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N(CCCC(=O)NCCSC2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C20H26N2O3S2/c1-17-10-12-18(13-11-17)22(27(2,24)25)15-6-9-20(23)21-14-16-26-19-7-4-3-5-8-19/h3-5,7-8,10-13H,6,9,14-16H2,1-2H3,(H,21,23)