ethyl 1-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-[2-(3-pyridyl)thiazol-4-yl]phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-[2-(3-pyridinyl)-4-thiazolyl]phenyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-[2-(3-pyridyl)thiazol-4-yl]phenyl]sulfonylisonipecotic acid ethyl ester Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=CSC(=N3)C4=CN=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=CSC(=N3)C4=CN=CC=C4

InChI

InChI=1S/C22H23N3O4S2/c1-2-29-22(26)16-8-11-25(12-9-16)31(27,28)19-7-3-5-17(13-19)20-15-30-21(24-20)18-6-4-10-23-14-18/h3-7,10,13-16H,2,8-9,11-12H2,1H3