methyl 1-(1,4-diazepan-1-ylsulfonyl)piperidine-4-carboxylate

Systemtic Name: methyl 1-(1,4-diazepan-1-ylsulfonyl)piperidine-4-carboxylate Openeye Name: methyl 1-(1,4-diazepan-1-ylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(1,4-diazepan-1-ylsulfonyl)-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(1,4-diazepan-1-ylsulfonyl)piperidine-4-carboxylate Traditional Name: 1-(1,4-diazepan-1-ylsulfonyl)isonipecotic acid methyl ester Formula: C12H23N3O4S MolecularWeight: 305.39372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)S(=O)(=O)N2CCCNCC2

Isomeric SMILES

COC(=O)C1CCN(CC1)S(=O)(=O)N2CCCNCC2

InChI

InChI=1S/C12H23N3O4S/c1-19-12(16)11-3-8-15(9-4-11)20(17,18)14-7-2-5-13-6-10-14/h11,13H,2-10H2,1H3