[4-(2,2-dicyanoethenyl)phenyl] 1-(2-nitrophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [4-(2,2-dicyanoethenyl)phenyl] 1-(2-nitrophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [4-(2,2-dicyanovinyl)phenyl] 1-(2-nitrophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid [4-(2,2-dicyanoethenyl)phenyl] ester IUPAC Name: [4-(2,2-dicyanoethenyl)phenyl] 1-(2-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)sulfonylisonipecotic acid [4-(2,2-dicyanovinyl)phenyl] ester Formula: C22H18N4O6S MolecularWeight: 466.46652

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2=CC=C(C=C2)C=C(C#N)C#N)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)OC2=CC=C(C=C2)C=C(C#N)C#N)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O6S/c23-14-17(15-24)13-16-5-7-19(8-6-16)32-22(27)18-9-11-25(12-10-18)33(30,31)21-4-2-1-3-20(21)26(28)29/h1-8,13,18H,9-12H2