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

Systemtic Name: 2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-[2-(4-methylphenyl)sulfanylethyl]butanamide Openeye Name: 2-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-[2-(p-tolylsulfanyl)ethyl]butanamide CAS Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)thio]ethyl]butanamide IUPAC Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]butanamide Traditional Name: 2-(N-mesyl-3,4-dimethyl-anilino)-N-[2-(p-tolylthio)ethyl]butyramide Formula: C22H30N2O3S2 MolecularWeight: 434.6152

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCSC1=CC=C(C=C1)C)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NCCSC1=CC=C(C=C1)C)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

InChI

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