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

Systemtic Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate Openeye Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3-methylsulfonylbenzoate Traditional Name: 3-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=C2)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO5S/c1-12-6-4-9-16(13(12)2)19-17(20)11-24-18(21)14-7-5-8-15(10-14)25(3,22)23/h5,7-8,10,12-13,16H,4,6,9,11H2,1-3H3,(H,19,20)