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

Systemtic Name: [4-(2,2-dicyanoethenyl)phenyl] 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate Openeye Name: [4-(2,2-dicyanovinyl)phenyl] 1-(2-thienylsulfonyl)piperidine-3-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-3-piperidinecarboxylic acid [4-(2,2-dicyanoethenyl)phenyl] ester IUPAC Name: [4-(2,2-dicyanoethenyl)phenyl] 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate Traditional Name: 1-(2-thienylsulfonyl)nipecotic acid [4-(2,2-dicyanovinyl)phenyl] ester Formula: C20H17N3O4S2 MolecularWeight: 427.49668

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)OC3=CC=C(C=C3)C=C(C#N)C#N

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)OC3=CC=C(C=C3)C=C(C#N)C#N

InChI

InChI=1S/C20H17N3O4S2/c21-12-16(13-22)11-15-5-7-18(8-6-15)27-20(24)17-3-1-9-23(14-17)29(25,26)19-4-2-10-28-19/h2,4-8,10-11,17H,1,3,9,14H2