[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxidanylidene-ethyl] 2-methylsulfonylbenzoate

Systemtic Name: [2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxidanylidene-ethyl] 2-methylsulfonylbenzoate Openeye Name: [2-[[4-(1,1-dimethylpropyl)cyclohexyl]amino]-2-oxo-ethyl] 2-methylsulfonylbenzoate CAS Name: 2-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-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-[(4-tert-amylcyclohexyl)amino]-2-keto-ethyl] ester Formula: C21H31NO5S MolecularWeight: 409.53954

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(CC1)NC(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

CCC(C)(C)C1CCC(CC1)NC(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C21H31NO5S/c1-5-21(2,3)15-10-12-16(13-11-15)22-19(23)14-27-20(24)17-8-6-7-9-18(17)28(4,25)26/h6-9,15-16H,5,10-14H2,1-4H3,(H,22,23)