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

Systemtic Name: N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-[(4-methylphenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(4-methyl-N-methylsulfonyl-anilino)butanamide CAS Name: N-[2-[(2-chlorophenyl)methylthio]ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide IUPAC Name: N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide Traditional Name: N-[2-[(2-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=C1Cl)N(C2=CC=C(C=C2)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NCCSCC1=CC=CC=C1Cl)N(C2=CC=C(C=C2)C)S(=O)(=O)C

InChI

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