[2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(4-fluoroanilino)-2-oxo-1-phenyl-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-(4-fluoroanilino)-2-keto-1-phenyl-ethyl] ester Formula: C25H23FN2O5S MolecularWeight: 482.523923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C25H23FN2O5S/c26-20-11-13-21(14-12-20)27-24(29)23(18-7-2-1-3-8-18)33-25(30)19-9-6-10-22(17-19)34(31,32)28-15-4-5-16-28/h1-3,6-14,17,23H,4-5,15-16H2,(H,27,29)