[(Z)-[azanyl-(4-nitrophenyl)methylidene]amino] 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: [(Z)-[azanyl-(4-nitrophenyl)methylidene]amino] 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: [(Z)-[amino-(4-nitrophenyl)methylene]amino] 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid [(Z)-[amino-(4-nitrophenyl)methylidene]amino] ester IUPAC Name: [(Z)-[amino-(4-nitrophenyl)methylidene]amino] 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid [(Z)-[amino-(4-nitrophenyl)methylene]amino] ester Formula: C19H20N4O6S MolecularWeight: 432.4503

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)ON=C(C2=CC=C(C=C2)[N+](=O)[O-])N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)O/N=C(/C2=CC=C(C=C2)[N+](=O)[O-])\N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H20N4O6S/c20-18(14-6-8-16(9-7-14)23(25)26)21-29-19(24)15-10-12-22(13-11-15)30(27,28)17-4-2-1-3-5-17/h1-9,15H,10-13H2,(H2,20,21)