[1-(2-ethylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 4-methylsulfonylbenzoate

Systemtic Name: [1-(2-ethylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 4-methylsulfonylbenzoate Openeye Name: [2-(2-ethyl-1-piperidyl)-1-methyl-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [1-(2-ethyl-1-piperidinyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-(2-ethylpiperidino)-2-keto-1-methyl-ethyl] ester Formula: C18H25NO5S MolecularWeight: 367.4598

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C(C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCC1CCCCN1C(=O)C(C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C18H25NO5S/c1-4-15-7-5-6-12-19(15)17(20)13(2)24-18(21)14-8-10-16(11-9-14)25(3,22)23/h8-11,13,15H,4-7,12H2,1-3H3