(2-acetamido-1,3-thiazol-4-yl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: (2-acetamidothiazol-4-yl)methyl 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C17H20N4O5S2 MolecularWeight: 424.4945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CC(=O)NC1=NC(=CS1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C17H20N4O5S2/c1-12(22)19-17-20-14(11-27-17)10-26-16(23)13-4-7-21(8-5-13)28(24,25)15-3-2-6-18-9-15/h2-3,6,9,11,13H,4-5,7-8,10H2,1H3,(H,19,20,22)