ethyl 4-[3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]piperidin-1-yl]sulfonyl-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]piperidin-1-yl]sulfonyl-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 4-[[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]-1-piperidyl]sulfonyl]-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 4-[[3-[(3-chloro-4-fluoroanilino)-oxomethyl]-1-piperidinyl]sulfonyl]-1-ethyl-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(3-chloro-4-fluorophenyl)carbamoyl]piperidin-1-yl]sulfonyl-1-ethyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 4-[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]piperidino]sulfonyl-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C23H29ClFN3O5S MolecularWeight: 514.009863

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C1C)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC(=C(C=C3)F)Cl)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C(=C1C)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC(=C(C=C3)F)Cl)C(=O)OCC)C

InChI

InChI=1S/C23H29ClFN3O5S/c1-5-28-14(3)20(23(30)33-6-2)21(15(28)4)34(31,32)27-11-7-8-16(13-27)22(29)26-17-9-10-19(25)18(24)12-17/h9-10,12,16H,5-8,11,13H2,1-4H3,(H,26,29)