[2-[ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate

Systemtic Name: [2-[ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Openeye Name: [2-[benzyl(ethyl)amino]-2-oxo-ethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentanecarboxylate CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-1-cyclopentanecarboxylic acid [2-[ethyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(ethyl)amino]-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Traditional Name: 1-(2,5-dimethylphenyl)sulfonylcyclopentanecarboxylic acid [2-[benzyl(ethyl)amino]-2-keto-ethyl] ester Formula: C25H31NO5S MolecularWeight: 457.58234

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)COC(=O)C2(CCCC2)S(=O)(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)COC(=O)C2(CCCC2)S(=O)(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C25H31NO5S/c1-4-26(17-21-10-6-5-7-11-21)23(27)18-31-24(28)25(14-8-9-15-25)32(29,30)22-16-19(2)12-13-20(22)3/h5-7,10-13,16H,4,8-9,14-15,17-18H2,1-3H3