[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate

Systemtic Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate Openeye Name: [2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl] 1-(2-fluorophenyl)cyclopentanecarboxylate CAS Name: 1-(2-fluorophenyl)-1-cyclopentanecarboxylic acid [2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(2-fluorophenyl)cyclopentanecarboxylic acid [2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl] ester Formula: C28H29FN2O5S MolecularWeight: 524.603663

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC=CC=C2F)C(=O)OCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCC(C1)(C2=CC=CC=C2F)C(=O)OCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H29FN2O5S/c29-25-10-4-3-9-24(25)28(13-5-6-14-28)27(33)36-20-26(32)30-15-17-31(18-16-30)37(34,35)23-12-11-21-7-1-2-8-22(21)19-23/h1-4,7-12,19H,5-6,13-18,20H2