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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C)C(=O)OC

InChI

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