2-(2,5-dimethylphenoxy)ethyl 1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 2-(2,5-dimethylphenoxy)ethyl 1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 2-(2,5-dimethylphenoxy)ethyl 1-(2-chloro-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid 2-(2,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(2,5-dimethylphenoxy)ethyl 1-(2-chloro-5-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-chloro-5-nitro-phenyl)sulfonylisonipecotic acid 2-(2,5-dimethylphenoxy)ethyl ester Formula: C22H25ClN2O7S MolecularWeight: 496.9611

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCOC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCOC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H25ClN2O7S/c1-15-3-4-16(2)20(13-15)31-11-12-32-22(26)17-7-9-24(10-8-17)33(29,30)21-14-18(25(27)28)5-6-19(21)23/h3-6,13-14,17H,7-12H2,1-2H3