[2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-tert-butylphenyl)cyclopentane-1-carboxylate

Systemtic Name: [2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-tert-butylphenyl)cyclopentane-1-carboxylate Openeye Name: [2-(2-chloro-5-methylsulfonyl-anilino)-2-oxo-ethyl] 1-(4-tert-butylphenyl)cyclopentanecarboxylate CAS Name: 1-(4-tert-butylphenyl)-1-cyclopentanecarboxylic acid [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 1-(4-tert-butylphenyl)cyclopentane-1-carboxylate Traditional Name: 1-(4-tert-butylphenyl)cyclopentanecarboxylic acid [2-(2-chloro-5-mesyl-anilino)-2-keto-ethyl] ester Formula: C25H30ClNO5S MolecularWeight: 492.0274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2(CCCC2)C(=O)OCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2(CCCC2)C(=O)OCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C25H30ClNO5S/c1-24(2,3)17-7-9-18(10-8-17)25(13-5-6-14-25)23(29)32-16-22(28)27-21-15-19(33(4,30)31)11-12-20(21)26/h7-12,15H,5-6,13-14,16H2,1-4H3,(H,27,28)