1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[3-(methylthio)-1,2,4-thiadiazol-5-yl]-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[3-(methylthio)-1,2,4-thiadiazol-5-yl]isonipecotamide Formula: C18H22N4O5S3 MolecularWeight: 470.58608

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NSC(=N1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CSC1=NSC(=N1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C18H22N4O5S3/c1-28-18-20-17(29-21-18)19-16(23)12-5-7-22(8-6-12)30(24,25)13-3-4-14-15(11-13)27-10-2-9-26-14/h3-4,11-12H,2,5-10H2,1H3,(H,19,20,21,23)