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

Systemtic Name: ethyl 4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbonyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C20H24FN3O5S MolecularWeight: 437.485063

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H24FN3O5S/c1-4-29-20(26)18-13(2)17(14(3)22-18)19(25)23-9-11-24(12-10-23)30(27,28)16-7-5-15(21)6-8-16/h5-8,22H,4,9-12H2,1-3H3