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

Systemtic Name: [(Z)-[azanyl(pyridin-4-yl)methylidene]amino] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [(Z)-[amino(4-pyridyl)methylene]amino] 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid [(Z)-[amino(pyridin-4-yl)methylidene]amino] ester IUPAC Name: [(Z)-[amino(pyridin-4-yl)methylidene]amino] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid [(Z)-[amino(4-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=CC=NC=C3)N

Isomeric SMILES

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

InChI

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