4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]-N-[2-(4-methylphenyl)sulfanylethyl]butanamide

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]-N-[2-(4-methylphenyl)sulfanylethyl]butanamide Openeye Name: 4-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)-N-[2-(p-tolylsulfanyl)ethyl]butanamide CAS Name: 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)thio]ethyl]butanamide IUPAC Name: 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]butanamide Traditional Name: 4-(3-chloro-N-mesyl-4-methoxy-anilino)-N-[2-(p-tolylthio)ethyl]butyramide Formula: C21H27ClN2O4S2 MolecularWeight: 471.03308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)CCCN(C2=CC(=C(C=C2)OC)Cl)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)CCCN(C2=CC(=C(C=C2)OC)Cl)S(=O)(=O)C

InChI

InChI=1S/C21H27ClN2O4S2/c1-16-6-9-18(10-7-16)29-14-12-23-21(25)5-4-13-24(30(3,26)27)17-8-11-20(28-2)19(22)15-17/h6-11,15H,4-5,12-14H2,1-3H3,(H,23,25)