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

Systemtic Name: ethyl 4-[3-[(3-fluoranyl-4-methyl-phenyl)carbamoyl]piperidin-1-yl]sulfonyl-1,2,5-trimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 4-[[3-[(3-fluoro-4-methyl-phenyl)carbamoyl]-1-piperidyl]sulfonyl]-1,2,5-trimethyl-pyrrole-3-carboxylate CAS Name: 4-[[3-[(3-fluoro-4-methylanilino)-oxomethyl]-1-piperidinyl]sulfonyl]-1,2,5-trimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(3-fluoro-4-methylphenyl)carbamoyl]piperidin-1-yl]sulfonyl-1,2,5-trimethylpyrrole-3-carboxylate Traditional Name: 4-[3-[(3-fluoro-4-methyl-phenyl)carbamoyl]piperidino]sulfonyl-1,2,5-trimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C23H30FN3O5S MolecularWeight: 479.564803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30FN3O5S/c1-6-32-23(29)20-15(3)26(5)16(4)21(20)33(30,31)27-11-7-8-17(13-27)22(28)25-18-10-9-14(2)19(24)12-18/h9-10,12,17H,6-8,11,13H2,1-5H3,(H,25,28)