4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-(2-phenylsulfanylphenyl)butanamide

Systemtic Name: 4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-(2-phenylsulfanylphenyl)butanamide Openeye Name: 4-(2,5-dimethyl-N-methylsulfonyl-anilino)-N-(2-phenylsulfanylphenyl)butanamide CAS Name: 4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-(phenylthio)phenyl]butanamide IUPAC Name: 4-(2,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)butanamide Traditional Name: 4-(N-mesyl-2,5-dimethyl-anilino)-N-[2-(phenylthio)phenyl]butyramide Formula: C25H28N2O3S2 MolecularWeight: 468.63142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(CCCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(CCCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C25H28N2O3S2/c1-19-15-16-20(2)23(18-19)27(32(3,29)30)17-9-14-25(28)26-22-12-7-8-13-24(22)31-21-10-5-4-6-11-21/h4-8,10-13,15-16,18H,9,14,17H2,1-3H3,(H,26,28)