[1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 2-methylsulfonylbenzoate

Systemtic Name: [1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 2-methylsulfonylbenzoate Openeye Name: [2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylamino)-1-oxopropan-2-yl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H23NO5S MolecularWeight: 353.43322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)OC(=O)C2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC1CCCCC1)OC(=O)C2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C17H23NO5S/c1-12(16(19)18-13-8-4-3-5-9-13)23-17(20)14-10-6-7-11-15(14)24(2,21)22/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,18,19)