[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Openeye Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentanecarboxylate CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-1-cyclopentanecarboxylic acid [2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Traditional Name: 1-(2,5-dimethylphenyl)sulfonylcyclopentanecarboxylic acid [2-(4-benzylpiperazino)-2-keto-ethyl] ester Formula: C27H34N2O5S MolecularWeight: 498.63426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)C2(CCCC2)C(=O)OCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)C2(CCCC2)C(=O)OCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H34N2O5S/c1-21-10-11-22(2)24(18-21)35(32,33)27(12-6-7-13-27)26(31)34-20-25(30)29-16-14-28(15-17-29)19-23-8-4-3-5-9-23/h3-5,8-11,18H,6-7,12-17,19-20H2,1-2H3