ethyl 2-methyl-1,5-diphenyl-4-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 2-methyl-1,5-diphenyl-4-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonyl-pyrrole-3-carboxylate Openeye Name: ethyl 2-methyl-1,5-diphenyl-4-[4-[3-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]sulfonyl-pyrrole-3-carboxylate CAS Name: 2-methyl-1,5-diphenyl-4-[[4-[3-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]sulfonyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-1,5-diphenyl-4-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylpyrrole-3-carboxylate Traditional Name: 2-methyl-1,5-diphenyl-4-[4-[3-(trifluoromethyl)-2-pyridyl]piperazino]sulfonyl-pyrrole-3-carboxylic acid ethyl ester Formula: C30H29F3N4O4S MolecularWeight: 598.63587

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCN(CC2)C3=C(C=CC=N3)C(F)(F)F)C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCN(CC2)C3=C(C=CC=N3)C(F)(F)F)C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C30H29F3N4O4S/c1-3-41-29(38)25-21(2)37(23-13-8-5-9-14-23)26(22-11-6-4-7-12-22)27(25)42(39,40)36-19-17-35(18-20-36)28-24(30(31,32)33)15-10-16-34-28/h4-16H,3,17-20H2,1-2H3