4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-[2-(4-methylphenyl)sulfanylethyl]butanamide

Systemtic Name: 4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-[2-(4-methylphenyl)sulfanylethyl]butanamide Openeye Name: 4-(2,5-dimethyl-N-methylsulfonyl-anilino)-N-[2-(p-tolylsulfanyl)ethyl]butanamide CAS Name: 4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)thio]ethyl]butanamide IUPAC Name: 4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]butanamide Traditional Name: 4-(N-mesyl-2,5-dimethyl-anilino)-N-[2-(p-tolylthio)ethyl]butyramide Formula: C22H30N2O3S2 MolecularWeight: 434.6152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3S2/c1-17-8-11-20(12-9-17)28-15-13-23-22(25)6-5-14-24(29(4,26)27)21-16-18(2)7-10-19(21)3/h7-12,16H,5-6,13-15H2,1-4H3,(H,23,25)