(2-phenyl-1,3-thiazol-4-yl)methyl 1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2-phenylthiazol-4-yl)methyl 1-(2-chloro-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 1-(2-chloro-5-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-chloro-5-nitro-phenyl)sulfonylisonipecotic acid (2-phenylthiazol-4-yl)methyl ester Formula: C22H20ClN3O6S2 MolecularWeight: 521.9937

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CSC(=N2)C3=CC=CC=C3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CSC(=N2)C3=CC=CC=C3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H20ClN3O6S2/c23-19-7-6-18(26(28)29)12-20(19)34(30,31)25-10-8-16(9-11-25)22(27)32-13-17-14-33-21(24-17)15-4-2-1-3-5-15/h1-7,12,14,16H,8-11,13H2