methyl 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-[[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]sulfonyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[4-[bis(4-fluorophenyl)methyl]piperazino]sulfonyl-1H-pyrrole-2-carboxylic acid methyl ester Formula: C23H23F2N3O4S MolecularWeight: 475.508226

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CN1)S(=O)(=O)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=CC(=CN1)S(=O)(=O)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H23F2N3O4S/c1-32-23(29)21-14-20(15-26-21)33(30,31)28-12-10-27(11-13-28)22(16-2-6-18(24)7-3-16)17-4-8-19(25)9-5-17/h2-9,14-15,22,26H,10-13H2,1H3