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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)CCCN(C2=CC(=CC=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)CCCN(C2=CC(=CC=C2)Cl)S(=O)(=O)C

InChI

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