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

Systemtic Name: [(Z)-[azanyl-(4-nitrophenyl)methylidene]amino] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [(Z)-[amino-(4-nitrophenyl)methylene]amino] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [(Z)-[amino-(4-nitrophenyl)methylidene]amino] ester IUPAC Name: [(Z)-[amino-(4-nitrophenyl)methylidene]amino] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [(Z)-[amino-(4-nitrophenyl)methylene]amino] ester Formula: C14H18N4O6S MolecularWeight: 370.38092

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)ON=C(C2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)O/N=C(/C2=CC=C(C=C2)[N+](=O)[O-])\N

InChI

InChI=1S/C14H18N4O6S/c1-25(22,23)17-8-6-11(7-9-17)14(19)24-16-13(15)10-2-4-12(5-3-10)18(20)21/h2-5,11H,6-9H2,1H3,(H2,15,16)