2-(2-ethanoylphenoxy)ethyl 1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 2-(2-ethanoylphenoxy)ethyl 1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 2-(2-acetylphenoxy)ethyl 1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid 2-(2-acetylphenoxy)ethyl ester IUPAC Name: 2-(2-acetylphenoxy)ethyl 1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonylisonipecotic acid 2-(2-acetylphenoxy)ethyl ester Formula: C23H26N2O8S MolecularWeight: 490.52614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)OCCOC3=CC=CC=C3C(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)OCCOC3=CC=CC=C3C(=O)C

InChI

InChI=1S/C23H26N2O8S/c1-16-7-8-19(25(28)29)15-22(16)34(30,31)24-11-9-18(10-12-24)23(27)33-14-13-32-21-6-4-3-5-20(21)17(2)26/h3-8,15,18H,9-14H2,1-2H3