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

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

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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)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3S2/c1-5-20(23(28(4,25)26)18-10-6-16(2)7-11-18)21(24)22-14-15-27-19-12-8-17(3)9-13-19/h6-13,20H,5,14-15H2,1-4H3,(H,22,24)