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

Systemtic Name: 1-[6-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[5-nitro-6-[2-(p-tolylsulfonyl)hydrazino]pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-[(4-methylphenyl)sulfonylhydrazo]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[5-nitro-6-(N'-tosylhydrazino)pyrimidin-4-yl]isonipecotic acid Formula: C17H20N6O6S MolecularWeight: 436.4423

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C17H20N6O6S/c1-11-2-4-13(5-3-11)30(28,29)21-20-15-14(23(26)27)16(19-10-18-15)22-8-6-12(7-9-22)17(24)25/h2-5,10,12,21H,6-9H2,1H3,(H,24,25)(H,18,19,20)