N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[(5-piperidinosulfonyl-2-pyridyl)thio]propionamide Formula: C22H26N4O3S3 MolecularWeight: 490.66184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C22H26N4O3S3/c23-14-18-17-6-2-3-7-19(17)31-22(18)25-20(27)10-13-30-21-9-8-16(15-24-21)32(28,29)26-11-4-1-5-12-26/h8-9,15H,1-7,10-13H2,(H,25,27)