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

Systemtic Name: (5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (5-chlorothiadiazol-4-yl)methyl 1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-4-piperidinecarboxylic acid (5-chloro-4-thiadiazolyl)methyl ester IUPAC Name: (5-chlorothiadiazol-4-yl)methyl 1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2,4-dimethylphenyl)sulfonylisonipecotic acid (5-chlorothiadiazol-4-yl)methyl ester Formula: C17H20ClN3O4S2 MolecularWeight: 429.9414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=C(SN=N3)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=C(SN=N3)Cl)C

InChI

InChI=1S/C17H20ClN3O4S2/c1-11-3-4-15(12(2)9-11)27(23,24)21-7-5-13(6-8-21)17(22)25-10-14-16(18)26-20-19-14/h3-4,9,13H,5-8,10H2,1-2H3