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

Systemtic Name: methyl 4-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylamino]butanoate Openeye Name: methyl 4-[[1-(3-pyridylsulfonyl)piperidine-4-carbonyl]amino]butanoate CAS Name: 4-[[oxo-[1-(3-pyridinylsulfonyl)-4-piperidinyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]butanoate Traditional Name: 4-[[1-(3-pyridylsulfonyl)isonipecotoyl]amino]butyric acid methyl ester Formula: C16H23N3O5S MolecularWeight: 369.43592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O5S/c1-24-15(20)5-3-9-18-16(21)13-6-10-19(11-7-13)25(22,23)14-4-2-8-17-12-14/h2,4,8,12-13H,3,5-7,9-11H2,1H3,(H,18,21)