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

Systemtic Name: [2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate Openeye Name: [2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl] 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-(1-pyrrolidinylsulfonyl)-2-pyrrolecarboxylic acid [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate Traditional Name: 1-methyl-4-pyrrolidinosulfonyl-pyrrole-2-carboxylic acid [2-(3-chloro-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C18H19ClFN3O5S MolecularWeight: 443.876963

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC(=O)NC2=CC(=C(C=C2)F)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC(=O)NC2=CC(=C(C=C2)F)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H19ClFN3O5S/c1-22-10-13(29(26,27)23-6-2-3-7-23)9-16(22)18(25)28-11-17(24)21-12-4-5-15(20)14(19)8-12/h4-5,8-10H,2-3,6-7,11H2,1H3,(H,21,24)