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

Systemtic Name: 4-[(3-methylphenyl)-methylsulfonyl-amino]-N-[2-(4-methylphenyl)sulfanylethyl]butanamide Openeye Name: 4-(3-methyl-N-methylsulfonyl-anilino)-N-[2-(p-tolylsulfanyl)ethyl]butanamide CAS Name: 4-(3-methyl-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)thio]ethyl]butanamide IUPAC Name: 4-(3-methyl-N-methylsulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]butanamide Traditional Name: 4-(N-mesyl-3-methyl-anilino)-N-[2-(p-tolylthio)ethyl]butyramide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3S2/c1-17-9-11-20(12-10-17)27-15-13-22-21(24)8-5-14-23(28(3,25)26)19-7-4-6-18(2)16-19/h4,6-7,9-12,16H,5,8,13-15H2,1-3H3,(H,22,24)