[(Z)-[azanyl(thiophen-2-yl)methylidene]amino] 1-(4-nitrophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [(Z)-[azanyl(thiophen-2-yl)methylidene]amino] 1-(4-nitrophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [(Z)-[amino(2-thienyl)methylene]amino] 1-(4-nitrophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid [(Z)-[amino(thiophen-2-yl)methylidene]amino] ester IUPAC Name: [(Z)-[amino(thiophen-2-yl)methylidene]amino] 1-(4-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-nosylisonipecotic acid [(Z)-[amino(2-thienyl)methylene]amino] ester Formula: C17H18N4O6S2 MolecularWeight: 438.47802

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)ON=C(C2=CC=CS2)N)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O/N=C(/C2=CC=CS2)\N)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O6S2/c18-16(15-2-1-11-28-15)19-27-17(22)12-7-9-20(10-8-12)29(25,26)14-5-3-13(4-6-14)21(23)24/h1-6,11-12H,7-10H2,(H2,18,19)