2-[(3-chloranyl-4-fluoranyl-phenyl)-methylsulfonyl-amino]-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide

Systemtic Name: 2-[(3-chloranyl-4-fluoranyl-phenyl)-methylsulfonyl-amino]-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide Openeye Name: N-(2-benzylsulfanylethyl)-2-(3-chloro-4-fluoro-N-methylsulfonyl-anilino)acetamide CAS Name: 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[2-(phenylmethylthio)ethyl]acetamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetamide Traditional Name: N-[2-(benzylthio)ethyl]-2-(3-chloro-4-fluoro-N-mesyl-anilino)acetamide Formula: C18H20ClFN2O3S2 MolecularWeight: 430.944403

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCSCC1=CC=CC=C1)C2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCSCC1=CC=CC=C1)C2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C18H20ClFN2O3S2/c1-27(24,25)22(15-7-8-17(20)16(19)11-15)12-18(23)21-9-10-26-13-14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3,(H,21,23)