methyl 4-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]-5-(trifluoromethyl)thiophene-2-carboxylate

Systemtic Name: methyl 4-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]-5-(trifluoromethyl)thiophene-2-carboxylate Openeye Name: methyl 4-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]-5-(trifluoromethyl)thiophene-2-carboxylate CAS Name: 4-[4-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl]-5-(trifluoromethyl)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]-5-(trifluoromethyl)thiophene-2-carboxylate Traditional Name: 4-[4-(4-phenylpiperazino)sulfonylphenyl]-5-(trifluoromethyl)thiophene-2-carboxylic acid methyl ester Formula: C23H21F3N2O4S2 MolecularWeight: 510.54905

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=C(S1)C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H21F3N2O4S2/c1-32-22(29)20-15-19(21(33-20)23(24,25)26)16-7-9-18(10-8-16)34(30,31)28-13-11-27(12-14-28)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3