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

Systemtic Name: ethyl 4-[4-[(4-fluoranyl-2-methyl-phenyl)carbamoyl]piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[[4-[(4-fluoro-2-methyl-phenyl)carbamoyl]-1-piperidyl]sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[[4-[(4-fluoro-2-methylanilino)-oxomethyl]-1-piperidinyl]sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(4-fluoro-2-methylphenyl)carbamoyl]piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[4-[(4-fluoro-2-methyl-phenyl)carbamoyl]piperidino]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H28FN3O5S MolecularWeight: 465.538223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)F)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)F)C)C)C

InChI

InChI=1S/C22H28FN3O5S/c1-5-31-22(28)19-14(3)24-15(4)20(19)32(29,30)26-10-8-16(9-11-26)21(27)25-18-7-6-17(23)12-13(18)2/h6-7,12,16,24H,5,8-11H2,1-4H3,(H,25,27)