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

Systemtic Name: ethyl 4-[3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]-1-piperidyl]sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[[3-[(3-chloro-4-fluoroanilino)-oxomethyl]-1-piperidinyl]sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(3-chloro-4-fluorophenyl)carbamoyl]piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]piperidino]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H25ClFN3O5S MolecularWeight: 485.956703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC(=C(C=C3)F)Cl)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC(=C(C=C3)F)Cl)C)C

InChI

InChI=1S/C21H25ClFN3O5S/c1-4-31-21(28)18-12(2)24-13(3)19(18)32(29,30)26-9-5-6-14(11-26)20(27)25-15-7-8-17(23)16(22)10-15/h7-8,10,14,24H,4-6,9,11H2,1-3H3,(H,25,27)