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

Systemtic Name: 2-[(4-chlorophenyl)-methylsulfonyl-amino]-N-[2-(phenylmethylsulfanyl)ethyl]butanamide Openeye Name: N-(2-benzylsulfanylethyl)-2-(4-chloro-N-methylsulfonyl-anilino)butanamide CAS Name: 2-(4-chloro-N-methylsulfonylanilino)-N-[2-(phenylmethylthio)ethyl]butanamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-(4-chloro-N-methylsulfonylanilino)butanamide Traditional Name: N-[2-(benzylthio)ethyl]-2-(4-chloro-N-mesyl-anilino)butyramide Formula: C20H25ClN2O3S2 MolecularWeight: 441.0071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN2O3S2/c1-3-19(23(28(2,25)26)18-11-9-17(21)10-12-18)20(24)22-13-14-27-15-16-7-5-4-6-8-16/h4-12,19H,3,13-15H2,1-2H3,(H,22,24)