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

Systemtic Name: ethyl 4-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]carbonyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C20H23ClFN3O5S MolecularWeight: 471.930123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl)C

InChI

InChI=1S/C20H23ClFN3O5S/c1-4-30-20(27)18-12(2)17(13(3)23-18)19(26)24-7-9-25(10-8-24)31(28,29)14-5-6-16(22)15(21)11-14/h5-6,11,23H,4,7-10H2,1-3H3