[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-[[4-(1,1-dimethylpropyl)cyclohexyl]amino]-2-oxo-ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-[(4-tert-amylcyclohexyl)amino]-2-keto-ethyl] ester Formula: C22H33NO5S MolecularWeight: 423.56612

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(CC1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)C

Isomeric SMILES

CCC(C)(C)C1CCC(CC1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)C

InChI

InChI=1S/C22H33NO5S/c1-6-22(3,4)16-8-10-17(11-9-16)23-20(24)14-28-21(25)19-13-18(29(5,26)27)12-7-15(19)2/h7,12-13,16-17H,6,8-11,14H2,1-5H3,(H,23,24)