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

Systemtic Name: 4-[(3-methylphenyl)-methylsulfonyl-amino]-N-(2-phenylsulfanylethyl)butanamide Openeye Name: 4-(3-methyl-N-methylsulfonyl-anilino)-N-(2-phenylsulfanylethyl)butanamide CAS Name: 4-(3-methyl-N-methylsulfonylanilino)-N-[2-(phenylthio)ethyl]butanamide IUPAC Name: 4-(3-methyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)butanamide Traditional Name: 4-(N-mesyl-3-methyl-anilino)-N-[2-(phenylthio)ethyl]butyramide Formula: C20H26N2O3S2 MolecularWeight: 406.56204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CCCC(=O)NCCSC2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N(CCCC(=O)NCCSC2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C20H26N2O3S2/c1-17-8-6-9-18(16-17)22(27(2,24)25)14-7-12-20(23)21-13-15-26-19-10-4-3-5-11-19/h3-6,8-11,16H,7,12-15H2,1-2H3,(H,21,23)