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

Systemtic Name: ethyl 4-[3-[(3-fluorophenyl)carbamoyl]piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[[3-[(3-fluorophenyl)carbamoyl]-1-piperidyl]sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[[3-[(3-fluoroanilino)-oxomethyl]-1-piperidinyl]sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(3-fluorophenyl)carbamoyl]piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[3-[(3-fluorophenyl)carbamoyl]piperidino]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H26FN3O5S MolecularWeight: 451.511643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3O5S/c1-4-30-21(27)18-13(2)23-14(3)19(18)31(28,29)25-10-6-7-15(12-25)20(26)24-17-9-5-8-16(22)11-17/h5,8-9,11,15,23H,4,6-7,10,12H2,1-3H3,(H,24,26)