1-[3-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: 1-[3-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: 1-[3-[(Z)-C-methyl-N-(2-pyridylamino)carbonimidoyl]phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-[(1Z)-1-(2-pyridinylhydrazinylidene)ethyl]phenyl]sulfonyl-4-piperidinecarboxylate IUPAC Name: 1-[3-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-[(Z)-C-methyl-N-(2-pyridylamino)carbonimidoyl]phenyl]sulfonylisonipecotate Formula: C19H21N4O4S- MolecularWeight: 401.45944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=CC=CC=N1)C2=CC(=CC=C2)S(=O)(=O)N3CCC(CC3)C(=O)[O-]

Isomeric SMILES

C/C(=N/NC1=CC=CC=N1)/C2=CC(=CC=C2)S(=O)(=O)N3CCC(CC3)C(=O)[O-]

InChI

InChI=1S/C19H22N4O4S/c1-14(21-22-18-7-2-3-10-20-18)16-5-4-6-17(13-16)28(26,27)23-11-8-15(9-12-23)19(24)25/h2-7,10,13,15H,8-9,11-12H2,1H3,(H,20,22)(H,24,25)/p-1/b21-14-