4-[(3-chlorophenyl)-methylsulfonyl-amino]-N-(2-methylsulfanylphenyl)butanamide

Systemtic Name: 4-[(3-chlorophenyl)-methylsulfonyl-amino]-N-(2-methylsulfanylphenyl)butanamide Openeye Name: 4-(3-chloro-N-methylsulfonyl-anilino)-N-(2-methylsulfanylphenyl)butanamide CAS Name: 4-(3-chloro-N-methylsulfonylanilino)-N-[2-(methylthio)phenyl]butanamide IUPAC Name: 4-(3-chloro-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)butanamide Traditional Name: 4-(3-chloro-N-mesyl-anilino)-N-[2-(methylthio)phenyl]butyramide Formula: C18H21ClN2O3S2 MolecularWeight: 412.95394

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CCCN(C2=CC(=CC=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CCCN(C2=CC(=CC=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C18H21ClN2O3S2/c1-25-17-10-4-3-9-16(17)20-18(22)11-6-12-21(26(2,23)24)15-8-5-7-14(19)13-15/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,20,22)