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

Systemtic Name: [4-(2,2-dicyanoethenyl)-2-methoxy-phenyl] 1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylate Openeye Name: [4-(2,2-dicyanovinyl)-2-methoxy-phenyl] 1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylate CAS Name: 1-(4-acetamidophenyl)sulfonyl-2-piperidinecarboxylic acid [4-(2,2-dicyanoethenyl)-2-methoxyphenyl] ester IUPAC Name: [4-(2,2-dicyanoethenyl)-2-methoxyphenyl] 1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylate Traditional Name: 1-(4-acetamidophenyl)sulfonylpipecolinic acid [4-(2,2-dicyanovinyl)-2-methoxy-phenyl] ester Formula: C25H24N4O6S MolecularWeight: 508.54626

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)OC3=C(C=C(C=C3)C=C(C#N)C#N)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)OC3=C(C=C(C=C3)C=C(C#N)C#N)OC

InChI

InChI=1S/C25H24N4O6S/c1-17(30)28-20-7-9-21(10-8-20)36(32,33)29-12-4-3-5-22(29)25(31)35-23-11-6-18(14-24(23)34-2)13-19(15-26)16-27/h6-11,13-14,22H,3-5,12H2,1-2H3,(H,28,30)