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

Systemtic Name: methyl 1-[6-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[5-nitro-6-[2-(p-tolylsulfonyl)hydrazino]pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[(4-methylphenyl)sulfonylhydrazo]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-(N'-tosylhydrazino)pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C18H22N6O6S MolecularWeight: 450.46888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NNC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NNC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C18H22N6O6S/c1-12-3-5-14(6-4-12)31(28,29)22-21-16-15(24(26)27)17(20-11-19-16)23-9-7-13(8-10-23)18(25)30-2/h3-6,11,13,22H,7-10H2,1-2H3,(H,19,20,21)