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

Systemtic Name: ethyl 1-ethyl-4-[3-[(3-fluoranyl-4-methyl-phenyl)carbamoyl]piperidin-1-yl]sulfonyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-ethyl-4-[[3-[(3-fluoro-4-methyl-phenyl)carbamoyl]-1-piperidyl]sulfonyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-ethyl-4-[[3-[(3-fluoro-4-methylanilino)-oxomethyl]-1-piperidinyl]sulfonyl]-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-4-[3-[(3-fluoro-4-methylphenyl)carbamoyl]piperidin-1-yl]sulfonyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-ethyl-4-[3-[(3-fluoro-4-methyl-phenyl)carbamoyl]piperidino]sulfonyl-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C24H32FN3O5S MolecularWeight: 493.591383

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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)C)F)C(=O)OCC)C

Isomeric SMILES

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

InChI

InChI=1S/C24H32FN3O5S/c1-6-28-16(4)21(24(30)33-7-2)22(17(28)5)34(31,32)27-12-8-9-18(14-27)23(29)26-19-11-10-15(3)20(25)13-19/h10-11,13,18H,6-9,12,14H2,1-5H3,(H,26,29)