[4-(2,2-dicyanoethenyl)-2-methoxy-phenyl] 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate

Systemtic Name: [4-(2,2-dicyanoethenyl)-2-methoxy-phenyl] 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate Openeye Name: [4-(2,2-dicyanovinyl)-2-methoxy-phenyl] 1-(2-thienylsulfonyl)piperidine-3-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-3-piperidinecarboxylic acid [4-(2,2-dicyanoethenyl)-2-methoxyphenyl] ester IUPAC Name: [4-(2,2-dicyanoethenyl)-2-methoxyphenyl] 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate Traditional Name: 1-(2-thienylsulfonyl)nipecotic acid [4-(2,2-dicyanovinyl)-2-methoxy-phenyl] ester Formula: C21H19N3O5S2 MolecularWeight: 457.52266

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)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C#N)OC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H19N3O5S2/c1-28-19-11-15(10-16(12-22)13-23)6-7-18(19)29-21(25)17-4-2-8-24(14-17)31(26,27)20-5-3-9-30-20/h3,5-7,9-11,17H,2,4,8,14H2,1H3