[2-[(2-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[(2-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(2-ethoxycarbonylanilino)-2-oxo-ethyl] 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid [2-(2-ethoxycarbonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid [2-(2-carbethoxyanilino)-2-keto-ethyl] ester Formula: C23H25FN2O7S MolecularWeight: 492.517203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H25FN2O7S/c1-2-32-23(29)17-8-4-5-9-19(17)25-21(27)15-33-22(28)16-10-11-18(24)20(14-16)34(30,31)26-12-6-3-7-13-26/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,25,27)