ethyl 1-[6-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[6-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[5-nitro-6-[2-(p-tolylsulfonyl)hydrazino]pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-[(4-methylphenyl)sulfonylhydrazo]-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[5-nitro-6-(N'-tosylhydrazino)pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C19H24N6O6S MolecularWeight: 464.49546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NNS(=O)(=O)C3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NNS(=O)(=O)C3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H24N6O6S/c1-3-31-19(26)14-5-4-10-24(11-14)18-16(25(27)28)17(20-12-21-18)22-23-32(29,30)15-8-6-13(2)7-9-15/h6-9,12,14,23H,3-5,10-11H2,1-2H3,(H,20,21,22)