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

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 1-(2-chloro-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(2-chloro-5-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-chloro-5-nitro-phenyl)sulfonylisonipecotic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C18H20ClN3O7S MolecularWeight: 457.8853

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H20ClN3O7S/c1-11-15(12(2)29-20-11)10-28-18(23)13-5-7-21(8-6-13)30(26,27)17-9-14(22(24)25)3-4-16(17)19/h3-4,9,13H,5-8,10H2,1-2H3