[1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-methylsulfonylbenzoate

Systemtic Name: [1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-methylsulfonylbenzoate Openeye Name: [1-methyl-2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-keto-1-methyl-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C18H25NO5S MolecularWeight: 367.4598

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC1CCCCC1NC(=O)C(C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C18H25NO5S/c1-12-7-4-5-10-16(12)19-17(20)13(2)24-18(21)14-8-6-9-15(11-14)25(3,22)23/h6,8-9,11-13,16H,4-5,7,10H2,1-3H3,(H,19,20)