(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (5-chlorothiadiazol-4-yl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-piperidinecarboxylic acid (5-chloro-4-thiadiazolyl)methyl ester IUPAC Name: (5-chlorothiadiazol-4-yl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-tert-butylphenyl)sulfonylisonipecotic acid (5-chlorothiadiazol-4-yl)methyl ester Formula: C19H24ClN3O4S2 MolecularWeight: 457.99456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=C(SN=N3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=C(SN=N3)Cl

InChI

InChI=1S/C19H24ClN3O4S2/c1-19(2,3)14-4-6-15(7-5-14)29(25,26)23-10-8-13(9-11-23)18(24)27-12-16-17(20)28-22-21-16/h4-7,13H,8-12H2,1-3H3