[2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfonylbenzoate

Systemtic Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfonylbenzoate Openeye Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxo-ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-keto-ethyl] ester Formula: C18H25NO5S MolecularWeight: 367.4598

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

CC1CCCC(C1C)NC(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C18H25NO5S/c1-12-7-6-9-15(13(12)2)19-17(20)11-24-18(21)14-8-4-5-10-16(14)25(3,22)23/h4-5,8,10,12-13,15H,6-7,9,11H2,1-3H3,(H,19,20)