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

Systemtic Name: [(Z)-[azanyl(phenyl)methylidene]amino] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [(Z)-[amino(phenyl)methylene]amino] 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid [(Z)-[amino(phenyl)methylidene]amino] ester IUPAC Name: [(Z)-[amino(phenyl)methylidene]amino] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid [(Z)-[amino(phenyl)methylene]amino] ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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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=CC=C3)N

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4S/c1-15-7-9-18(10-8-15)28(25,26)23-13-11-17(12-14-23)20(24)27-22-19(21)16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3,(H2,21,22)