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

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-2-[methylsulfonyl(phenyl)amino]butanamide Openeye Name: 2-(N-methylsulfonylanilino)-N-[2-(p-tolylsulfanyl)ethyl]butanamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-2-(N-methylsulfonylanilino)butanamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-2-(N-methylsulfonylanilino)butanamide Traditional Name: 2-(N-mesylanilino)-N-[2-(p-tolylthio)ethyl]butyramide Formula: C20H26N2O3S2 MolecularWeight: 406.56204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3S2/c1-4-19(22(27(3,24)25)17-8-6-5-7-9-17)20(23)21-14-15-26-18-12-10-16(2)11-13-18/h5-13,19H,4,14-15H2,1-3H3,(H,21,23)