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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)C2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC1CCCCCC1)OC(=O)C2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C18H25NO5S/c1-13(17(20)19-14-9-5-3-4-6-10-14)24-18(21)15-11-7-8-12-16(15)25(2,22)23/h7-8,11-14H,3-6,9-10H2,1-2H3,(H,19,20)