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

Systemtic Name: [2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate Openeye Name: [2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolidinylsulfonyl)-2-thiophenecarboxylic acid [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate Traditional Name: 3-pyrrolidinosulfonylthiophene-2-carboxylic acid [2-(3-chloro-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C17H16ClFN2O5S2 MolecularWeight: 446.900743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClFN2O5S2/c18-12-9-11(3-4-13(12)19)20-15(22)10-26-17(23)16-14(5-8-27-16)28(24,25)21-6-1-2-7-21/h3-5,8-9H,1-2,6-7,10H2,(H,20,22)