ethyl 3-methyl-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-methyl-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-benzofuran-2-carboxylate CAS Name: 3-methyl-5-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]sulfonyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-1-benzofuran-2-carboxylate Traditional Name: 3-methyl-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]sulfonyl-coumarilic acid ethyl ester Formula: C23H22F3N3O7S MolecularWeight: 541.49689

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-])C

InChI

InChI=1S/C23H22F3N3O7S/c1-3-35-22(30)21-14(2)17-13-16(5-7-20(17)36-21)37(33,34)28-10-8-27(9-11-28)18-6-4-15(23(24,25)26)12-19(18)29(31)32/h4-7,12-13H,3,8-11H2,1-2H3