methyl 3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylthiophene-2-carboxylate CAS Name: 3-[[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[4-[bis(4-fluorophenyl)methyl]piperazino]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C23H22F2N2O4S2 MolecularWeight: 492.558586

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H22F2N2O4S2/c1-31-23(28)22-20(10-15-32-22)33(29,30)27-13-11-26(12-14-27)21(16-2-6-18(24)7-3-16)17-4-8-19(25)9-5-17/h2-10,15,21H,11-14H2,1H3