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

Systemtic Name: 2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-(3-methylsulfanylphenyl)butanamide Openeye Name: 2-(3-chloro-N-methylsulfonyl-anilino)-N-(3-methylsulfanylphenyl)butanamide CAS Name: 2-(3-chloro-N-methylsulfonylanilino)-N-[3-(methylthio)phenyl]butanamide IUPAC Name: 2-(3-chloro-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)butanamide Traditional Name: 2-(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:

CCC(C(=O)NC1=CC(=CC=C1)SC)N(C2=CC(=CC=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC=C1)SC)N(C2=CC(=CC=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C18H21ClN2O3S2/c1-4-17(18(22)20-14-8-6-10-16(12-14)25-2)21(26(3,23)24)15-9-5-7-13(19)11-15/h5-12,17H,4H2,1-3H3,(H,20,22)