ethyl 4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethyl-pyrrole-3-carboxylate CAS Name: 4-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]-1,2,5-trimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrole-3-carboxylate Traditional Name: 4-[4-(4-fluorophenyl)piperazino]sulfonyl-1,2,5-trimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C20H26FN3O4S MolecularWeight: 423.501543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F)C)C)C

InChI

InChI=1S/C20H26FN3O4S/c1-5-28-20(25)18-14(2)22(4)15(3)19(18)29(26,27)24-12-10-23(11-13-24)17-8-6-16(21)7-9-17/h6-9H,5,10-13H2,1-4H3