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

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

CCC(C(=O)NC1=CC=CC=C1SC)N(C2=CC(=CC=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1SC)N(C2=CC(=CC=C2)Cl)S(=O)(=O)C

InChI

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