N-[2-(4-chlorophenyl)sulfanylethyl]-2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylethyl]-2-(3,4-dimethyl-N-methylsulfonyl-anilino)butanamide CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)butanamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylethyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)butanamide Traditional Name: N-[2-[(4-chlorophenyl)thio]ethyl]-2-(N-mesyl-3,4-dimethyl-anilino)butyramide Formula: C21H27ClN2O3S2 MolecularWeight: 455.03368

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCSC1=CC=C(C=C1)Cl)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NCCSC1=CC=C(C=C1)Cl)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

InChI

InChI=1S/C21H27ClN2O3S2/c1-5-20(21(25)23-12-13-28-19-10-7-17(22)8-11-19)24(29(4,26)27)18-9-6-15(2)16(3)14-18/h6-11,14,20H,5,12-13H2,1-4H3,(H,23,25)