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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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