[1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cycloheptylamino)-1-oxopropan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H30N2O5S MolecularWeight: 374.4955

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC1CCCCCC1)OC(=O)C2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C17H30N2O5S/c1-13(16(20)18-15-7-5-3-4-6-8-15)24-17(21)14-9-11-19(12-10-14)25(2,22)23/h13-15H,3-12H2,1-2H3,(H,18,20)