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

Systemtic Name: 2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-(2-ethylsulfanylphenyl)butanamide Openeye Name: 2-(3-chloro-N-methylsulfonyl-anilino)-N-(2-ethylsulfanylphenyl)butanamide CAS Name: 2-(3-chloro-N-methylsulfonylanilino)-N-[2-(ethylthio)phenyl]butanamide IUPAC Name: 2-(3-chloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)butanamide Traditional Name: 2-(3-chloro-N-mesyl-anilino)-N-[2-(ethylthio)phenyl]butyramide Formula: C19H23ClN2O3S2 MolecularWeight: 426.98052

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1SCC)N(C2=CC(=CC=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1SCC)N(C2=CC(=CC=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C19H23ClN2O3S2/c1-4-17(19(23)21-16-11-6-7-12-18(16)26-5-2)22(27(3,24)25)15-10-8-9-14(20)13-15/h6-13,17H,4-5H2,1-3H3,(H,21,23)