ethyl 1-[4-[(4-chlorophenyl)carbonylamino]-3-fluoranyl-phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[(4-chlorophenyl)carbonylamino]-3-fluoranyl-phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-[(4-chlorobenzoyl)amino]-3-fluoro-phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[4-[[(4-chlorophenyl)-oxomethyl]amino]-3-fluorophenyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(4-chlorobenzoyl)amino]-3-fluorophenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[4-[(4-chlorobenzoyl)amino]-3-fluoro-phenyl]sulfonylisonipecotic acid ethyl ester Formula: C21H22ClFN2O5S MolecularWeight: 468.926183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl)F

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl)F

InChI

InChI=1S/C21H22ClFN2O5S/c1-2-30-21(27)15-9-11-25(12-10-15)31(28,29)17-7-8-19(18(23)13-17)24-20(26)14-3-5-16(22)6-4-14/h3-8,13,15H,2,9-12H2,1H3,(H,24,26)