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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-3-carboxamide Traditional Name: 1-besyl-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)nipecotamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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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=CC=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S2/c22-13-18-17-10-4-5-11-19(17)28-21(18)23-20(25)15-7-6-12-24(14-15)29(26,27)16-8-2-1-3-9-16/h1-3,8-9,15H,4-7,10-12,14H2,(H,23,25)