[4-(2,2-dicyanoethenyl)-2-methoxy-phenyl] 1-(4-acetamidophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: [4-(2,2-dicyanoethenyl)-2-methoxy-phenyl] 1-(4-acetamidophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: [4-(2,2-dicyanovinyl)-2-methoxy-phenyl] 1-(4-acetamidophenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-acetamidophenyl)sulfonyl-3-piperidinecarboxylic acid [4-(2,2-dicyanoethenyl)-2-methoxyphenyl] ester IUPAC Name: [4-(2,2-dicyanoethenyl)-2-methoxyphenyl] 1-(4-acetamidophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-acetamidophenyl)sulfonylnipecotic 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)N2CCCC(C2)C(=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)N2CCCC(C2)C(=O)OC3=C(C=C(C=C3)C=C(C#N)C#N)OC

InChI

InChI=1S/C25H24N4O6S/c1-17(30)28-21-6-8-22(9-7-21)36(32,33)29-11-3-4-20(16-29)25(31)35-23-10-5-18(13-24(23)34-2)12-19(14-26)15-27/h5-10,12-13,20H,3-4,11,16H2,1-2H3,(H,28,30)