3-cyanopropyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: 3-cyanopropyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: 3-cyanopropyl 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid 3-cyanopropyl ester Formula: C14H18N2O4S2 MolecularWeight: 342.43372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCCCC#N)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

C1CN(CCC1C(=O)OCCCC#N)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C14H18N2O4S2/c15-7-1-2-10-20-14(17)12-5-8-16(9-6-12)22(18,19)13-4-3-11-21-13/h3-4,11-12H,1-2,5-6,8-10H2