methyl 3-[[1-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperidin-4-yl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[1-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperidin-4-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[1-(3-chloro-4-fluoro-phenyl)sulfonylpiperidine-4-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[1-(3-chloro-4-fluoro-phenyl)sulfonylisonipecotoyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C18H18ClFN2O5S2 MolecularWeight: 460.927323

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C18H18ClFN2O5S2/c1-27-18(24)16-15(6-9-28-16)21-17(23)11-4-7-22(8-5-11)29(25,26)12-2-3-14(20)13(19)10-12/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,21,23)