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

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: (2-phenylthiazol-4-yl)methyl 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid (2-phenylthiazol-4-yl)methyl ester Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CSC(=N2)C3=CC=CC=C3)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CSC(=N2)C3=CC=CC=C3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C21H21N3O4S2/c25-21(28-14-18-15-29-20(23-18)16-5-2-1-3-6-16)17-8-11-24(12-9-17)30(26,27)19-7-4-10-22-13-19/h1-7,10,13,15,17H,8-9,11-12,14H2