[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxidanylidene-ethyl] 4-tert-butylcyclohexane-1-carboxylate

Systemtic Name: [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxidanylidene-ethyl] 4-tert-butylcyclohexane-1-carboxylate Openeye Name: [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxo-ethyl] 4-tert-butylcyclohexanecarboxylate CAS Name: 4-tert-butyl-1-cyclohexanecarboxylic acid [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate Traditional Name: 4-tert-butylcyclohexanecarboxylic acid [2-keto-2-[4-[mesyl(methyl)amino]phenyl]ethyl] ester Formula: C21H31NO5S MolecularWeight: 409.53954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C(=O)OCC(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C(=O)OCC(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C

InChI

InChI=1S/C21H31NO5S/c1-21(2,3)17-10-6-16(7-11-17)20(24)27-14-19(23)15-8-12-18(13-9-15)22(4)28(5,25)26/h8-9,12-13,16-17H,6-7,10-11,14H2,1-5H3