methyl 1-(azepan-1-ylsulfonyl)piperidine-4-carboxylate

Systemtic Name: methyl 1-(azepan-1-ylsulfonyl)piperidine-4-carboxylate Openeye Name: methyl 1-(azepan-1-ylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(1-azepanylsulfonyl)-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(azepan-1-ylsulfonyl)piperidine-4-carboxylate Traditional Name: 1-(azepan-1-ylsulfonyl)isonipecotic acid methyl ester Formula: C13H24N2O4S MolecularWeight: 304.40566

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

COC(=O)C1CCN(CC1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C13H24N2O4S/c1-19-13(16)12-6-10-15(11-7-12)20(17,18)14-8-4-2-3-5-9-14/h12H,2-11H2,1H3