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

Systemtic Name: ethyl 4-[3-[4-(2-fluorophenyl)piperazin-1-yl]carbonylpiperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-piperidyl]sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[[3-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-1-piperidinyl]sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidino]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C25H33FN4O5S MolecularWeight: 520.616723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCCC(C2)C(=O)N3CCN(CC3)C4=CC=CC=C4F)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N2CCCC(C2)C(=O)N3CCN(CC3)C4=CC=CC=C4F)C)C

InChI

InChI=1S/C25H33FN4O5S/c1-4-35-25(32)22-17(2)27-18(3)23(22)36(33,34)30-11-7-8-19(16-30)24(31)29-14-12-28(13-15-29)21-10-6-5-9-20(21)26/h5-6,9-10,19,27H,4,7-8,11-16H2,1-3H3