N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-(2-thienylsulfonyl)isonipecotamide Formula: C19H21N3O3S3 MolecularWeight: 435.58334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4)C#N

InChI

InChI=1S/C19H21N3O3S3/c20-12-15-14-4-1-2-5-16(14)27-19(15)21-18(23)13-7-9-22(10-8-13)28(24,25)17-6-3-11-26-17/h3,6,11,13H,1-2,4-5,7-10H2,(H,21,23)