N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(1-piperidylsulfonyl)benzamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-piperidinosulfonyl-benzamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S2/c22-14-18-17-9-2-3-10-19(17)28-21(18)23-20(25)15-7-6-8-16(13-15)29(26,27)24-11-4-1-5-12-24/h6-8,13H,1-5,9-12H2,(H,23,25)