ethyl 1-[2-fluoranyl-5-[(4-phenoxyphenyl)carbamoyl]phenyl]sulfonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-fluoranyl-5-[(4-phenoxyphenyl)carbamoyl]phenyl]sulfonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[2-fluoro-5-[(4-phenoxyphenyl)carbamoyl]phenyl]sulfonylpiperidine-3-carboxylate CAS Name: 1-[2-fluoro-5-[oxo-(4-phenoxyanilino)methyl]phenyl]sulfonyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-fluoro-5-[(4-phenoxyphenyl)carbamoyl]phenyl]sulfonylpiperidine-3-carboxylate Traditional Name: 1-[2-fluoro-5-[(4-phenoxyphenyl)carbamoyl]phenyl]sulfonylnipecotic acid ethyl ester Formula: C27H27FN2O6S MolecularWeight: 526.576483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)F

Isomeric SMILES

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)F

InChI

InChI=1S/C27H27FN2O6S/c1-2-35-27(32)20-7-6-16-30(18-20)37(33,34)25-17-19(10-15-24(25)28)26(31)29-21-11-13-23(14-12-21)36-22-8-4-3-5-9-22/h3-5,8-15,17,20H,2,6-7,16,18H2,1H3,(H,29,31)