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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4)C#N

InChI

InChI=1S/C19H21N3O3S3/c20-11-15-14-6-1-2-7-16(14)27-19(15)21-18(23)13-5-3-9-22(12-13)28(24,25)17-8-4-10-26-17/h4,8,10,13H,1-3,5-7,9,12H2,(H,21,23)