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

Systemtic Name: [2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-(3-sulfamoylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid [2-keto-2-(3-sulfamoylanilino)ethyl] ester Formula: C20H22FN3O7S2 MolecularWeight: 499.532983

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N)F

InChI

InChI=1S/C20H22FN3O7S2/c21-17-8-7-14(11-18(17)33(29,30)24-9-2-1-3-10-24)20(26)31-13-19(25)23-15-5-4-6-16(12-15)32(22,27)28/h4-8,11-12H,1-3,9-10,13H2,(H,23,25)(H2,22,27,28)