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

Systemtic Name: [(Z)-[azanyl-(3-methylphenyl)methylidene]amino] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [(Z)-[amino(m-tolyl)methylene]amino] 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid [(Z)-[amino-(3-methylphenyl)methylidene]amino] ester IUPAC Name: [(Z)-[amino-(3-methylphenyl)methylidene]amino] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid [(Z)-[amino(m-tolyl)methylene]amino] ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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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)C)N

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-15-6-8-19(9-7-15)29(26,27)24-12-10-17(11-13-24)21(25)28-23-20(22)18-5-3-4-16(2)14-18/h3-9,14,17H,10-13H2,1-2H3,(H2,22,23)