[(Z)-[azanyl(pyridin-3-yl)methylidene]amino] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [(Z)-[azanyl(pyridin-3-yl)methylidene]amino] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [(Z)-[amino(3-pyridyl)methylene]amino] 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid [(Z)-[amino(3-pyridinyl)methylidene]amino] ester IUPAC Name: [(Z)-[amino(pyridin-3-yl)methylidene]amino] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid [(Z)-[amino(3-pyridyl)methylene]amino] ester Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)ON=C(C3=CN=CC=C3)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)O/N=C(/C3=CN=CC=C3)\N

InChI

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