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

Systemtic Name: ethyl 5-(4-chlorophenyl)-2-methyl-1-phenyl-4-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonyl-pyrrole-3-carboxylate Openeye Name: ethyl 5-(4-chlorophenyl)-2-methyl-1-phenyl-4-[4-[3-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]sulfonyl-pyrrole-3-carboxylate CAS Name: 5-(4-chlorophenyl)-2-methyl-1-phenyl-4-[[4-[3-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]sulfonyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-chlorophenyl)-2-methyl-1-phenyl-4-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylpyrrole-3-carboxylate Traditional Name: 5-(4-chlorophenyl)-2-methyl-1-phenyl-4-[4-[3-(trifluoromethyl)-2-pyridyl]piperazino]sulfonyl-pyrrole-3-carboxylic acid ethyl ester Formula: C30H28ClF3N4O4S MolecularWeight: 633.08093

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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=C(C=C4)Cl)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=C(C=C4)Cl)C5=CC=CC=C5)C

InChI

InChI=1S/C30H28ClF3N4O4S/c1-3-42-29(39)25-20(2)38(23-8-5-4-6-9-23)26(21-11-13-22(31)14-12-21)27(25)43(40,41)37-18-16-36(17-19-37)28-24(30(32,33)34)10-7-15-35-28/h4-15H,3,16-19H2,1-2H3