methyl 2-[(3-chloranyl-4-fluoranyl-phenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-[(3-chloranyl-4-fluoranyl-phenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 3-benzylsulfanyl-2-[(3-chloro-4-fluoro-phenyl)sulfonylamino]propanoate CAS Name: 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(3-chloro-4-fluoro-phenyl)sulfonylamino]propionic acid methyl ester Formula: C17H17ClFNO4S2 MolecularWeight: 417.902583

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)F)Cl

Isomeric SMILES

COC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C17H17ClFNO4S2/c1-24-17(21)16(11-25-10-12-5-3-2-4-6-12)20-26(22,23)13-7-8-15(19)14(18)9-13/h2-9,16,20H,10-11H2,1H3