[2-[(2-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[(2-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(2-chloro-4-fluoro-anilino)-2-oxo-ethyl] 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid [2-(2-chloro-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C19H17Cl2FN2O5S MolecularWeight: 475.318083

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)F)Cl)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)F)Cl)Cl

InChI

InChI=1S/C19H17Cl2FN2O5S/c20-14-5-3-12(9-17(14)30(27,28)24-7-1-2-8-24)19(26)29-11-18(25)23-16-6-4-13(22)10-15(16)21/h3-6,9-10H,1-2,7-8,11H2,(H,23,25)