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

Systemtic Name: [4-(2,2-dicyanoethenyl)-2-methoxy-phenyl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [4-(2,2-dicyanovinyl)-2-methoxy-phenyl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-4-piperidinecarboxylic acid [4-(2,2-dicyanoethenyl)-2-methoxyphenyl] ester IUPAC Name: [4-(2,2-dicyanoethenyl)-2-methoxyphenyl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonylisonipecotic acid [4-(2,2-dicyanovinyl)-2-methoxy-phenyl] ester Formula: C23H20ClN3O5S MolecularWeight: 485.94

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C#N)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C#N)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H20ClN3O5S/c1-31-22-13-16(12-17(14-25)15-26)2-7-21(22)32-23(28)18-8-10-27(11-9-18)33(29,30)20-5-3-19(24)4-6-20/h2-7,12-13,18H,8-11H2,1H3