[(1R)-2-oxidanylidenecyclopentyl] 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate

Systemtic Name: [(1R)-2-oxidanylidenecyclopentyl] 2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate Openeye Name: [(1R)-2-oxocyclopentyl] 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoate CAS Name: 2-chloro-5-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid [(1R)-2-oxocyclopentyl] ester IUPAC Name: [(1R)-2-oxocyclopentyl] 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 2-chloro-5-(4-phenylpiperazino)sulfonyl-benzoic acid [(1R)-2-ketocyclopentyl] ester Formula: C22H23ClN2O5S MolecularWeight: 462.94642

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1C[C@H](C(=O)C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C22H23ClN2O5S/c23-19-10-9-17(15-18(19)22(27)30-21-8-4-7-20(21)26)31(28,29)25-13-11-24(12-14-25)16-5-2-1-3-6-16/h1-3,5-6,9-10,15,21H,4,7-8,11-14H2/t21-/m1/s1