ethyl 4-[5-(4-methylsulfonylphenyl)-3-(nitrooxymethyl)pyrazol-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[5-(4-methylsulfonylphenyl)-3-(nitrooxymethyl)pyrazol-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[5-(4-methylsulfonylphenyl)-3-(nitrooxymethyl)pyrazol-1-yl]piperidine-1-carboxylate CAS Name: 4-[5-(4-methylsulfonylphenyl)-3-(nitrooxymethyl)-1-pyrazolyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(4-methylsulfonylphenyl)-3-(nitrooxymethyl)pyrazol-1-yl]piperidine-1-carboxylate Traditional Name: 4-[5-(4-mesylphenyl)-3-(nitrooxymethyl)pyrazol-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C19H24N4O7S MolecularWeight: 452.48146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C(=CC(=N2)CO[N+](=O)[O-])C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2C(=CC(=N2)CO[N+](=O)[O-])C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H24N4O7S/c1-3-29-19(24)21-10-8-16(9-11-21)22-18(12-15(20-22)13-30-23(25)26)14-4-6-17(7-5-14)31(2,27)28/h4-7,12,16H,3,8-11,13H2,1-2H3