N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-[(4-methylphenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-[(4-methylphenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(4-methyl-N-methylsulfonyl-anilino)butanamide CAS Name: N-[2-[(3-chlorophenyl)methylthio]ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide IUPAC Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide Traditional Name: N-[2-[(3-chlorobenzyl)thio]ethyl]-2-(N-mesyl-4-methyl-anilino)butyramide Formula: C21H27ClN2O3S2 MolecularWeight: 455.03368

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCSCC1=CC(=CC=C1)Cl)N(C2=CC=C(C=C2)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NCCSCC1=CC(=CC=C1)Cl)N(C2=CC=C(C=C2)C)S(=O)(=O)C

InChI

InChI=1S/C21H27ClN2O3S2/c1-4-20(24(29(3,26)27)19-10-8-16(2)9-11-19)21(25)23-12-13-28-15-17-6-5-7-18(22)14-17/h5-11,14,20H,4,12-13,15H2,1-3H3,(H,23,25)