N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide CAS Name: N-(3-cyano-4,5-dimethyl-2-thiophenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)isonipecotamide Formula: C22H25N3O5S2 MolecularWeight: 475.581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)C

InChI

InChI=1S/C22H25N3O5S2/c1-14-15(2)31-22(18(14)13-23)24-21(26)16-6-8-25(9-7-16)32(27,28)17-4-5-19-20(12-17)30-11-3-10-29-19/h4-5,12,16H,3,6-11H2,1-2H3,(H,24,26)