methyl 6-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylamino]hexanoate

Systemtic Name: methyl 6-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylamino]hexanoate Openeye Name: methyl 6-[[1-(3-pyridylsulfonyl)piperidine-4-carbonyl]amino]hexanoate CAS Name: 6-[[oxo-[1-(3-pyridinylsulfonyl)-4-piperidinyl]methyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]hexanoate Traditional Name: 6-[[1-(3-pyridylsulfonyl)isonipecotoyl]amino]hexanoic acid methyl ester Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CN=CC=C2

Isomeric SMILES

COC(=O)CCCCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CN=CC=C2

InChI

InChI=1S/C18H27N3O5S/c1-26-17(22)7-3-2-4-11-20-18(23)15-8-12-21(13-9-15)27(24,25)16-6-5-10-19-14-16/h5-6,10,14-15H,2-4,7-9,11-13H2,1H3,(H,20,23)