[(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 3-methylsulfonylbenzoate

Systemtic Name: [(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 3-methylsulfonylbenzoate Openeye Name: [(1R)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [(1R)-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=C2)S(=O)(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1CCCCC1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C17H23NO5S/c1-12(16(19)18-14-8-4-3-5-9-14)23-17(20)13-7-6-10-15(11-13)24(2,21)22/h6-7,10-12,14H,3-5,8-9H2,1-2H3,(H,18,19)/t12-/m1/s1