4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]-N-(3-methylsulfanylphenyl)butanamide

Systemtic Name: 4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]-N-(3-methylsulfanylphenyl)butanamide Openeye Name: 4-(5-chloro-2-methyl-N-methylsulfonyl-anilino)-N-(3-methylsulfanylphenyl)butanamide CAS Name: 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(methylthio)phenyl]butanamide IUPAC Name: 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)butanamide Traditional Name: 4-(5-chloro-N-mesyl-2-methyl-anilino)-N-[3-(methylthio)phenyl]butyramide Formula: C19H23ClN2O3S2 MolecularWeight: 426.98052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N(CCCC(=O)NC2=CC(=CC=C2)SC)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N(CCCC(=O)NC2=CC(=CC=C2)SC)S(=O)(=O)C

InChI

InChI=1S/C19H23ClN2O3S2/c1-14-9-10-15(20)12-18(14)22(27(3,24)25)11-5-8-19(23)21-16-6-4-7-17(13-16)26-2/h4,6-7,9-10,12-13H,5,8,11H2,1-3H3,(H,21,23)