2-[(4-methylphenyl)-methylsulfonyl-amino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide

Systemtic Name: 2-[(4-methylphenyl)-methylsulfonyl-amino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide Openeye Name: 2-(4-methyl-N-methylsulfonyl-anilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide CAS Name: 2-(4-methyl-N-methylsulfonylanilino)-N-[2-methyl-4-[(phenylthio)methyl]phenyl]butanamide IUPAC Name: 2-(4-methyl-N-methylsulfonylanilino)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide Traditional Name: 2-(N-mesyl-4-methyl-anilino)-N-[2-methyl-4-[(phenylthio)methyl]phenyl]butyramide Formula: C26H30N2O3S2 MolecularWeight: 482.658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C=C1)CSC2=CC=CC=C2)C)N(C3=CC=C(C=C3)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C=C1)CSC2=CC=CC=C2)C)N(C3=CC=C(C=C3)C)S(=O)(=O)C

InChI

InChI=1S/C26H30N2O3S2/c1-5-25(28(33(4,30)31)22-14-11-19(2)12-15-22)26(29)27-24-16-13-21(17-20(24)3)18-32-23-9-7-6-8-10-23/h6-17,25H,5,18H2,1-4H3,(H,27,29)