2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide Traditional Name: N-(5-amyl-1,3,4-thiadiazol-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-butyramide Formula: C21H30N4O5S2 MolecularWeight: 482.6167

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN=C(S1)NC(=O)C(C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCCCCC1=NN=C(S1)NC(=O)C(C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H30N4O5S2/c1-4-5-6-8-18-23-24-21(31-18)22-20(26)19(14(2)3)25-32(27,28)15-9-10-16-17(13-15)30-12-7-11-29-16/h9-10,13-14,19,25H,4-8,11-12H2,1-3H3,(H,22,24,26)