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

Systemtic Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-butanamide Openeye Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-butanamide CAS Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methylbutanamide IUPAC Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methylbutanamide Traditional Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-butyramide Formula: C20H28N4O5S2 MolecularWeight: 468.59012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)NC(=O)C(C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCCCC1=NN=C(S1)NC(=O)C(C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H28N4O5S2/c1-4-5-7-17-22-23-20(30-17)21-19(25)18(13(2)3)24-31(26,27)14-8-9-15-16(12-14)29-11-6-10-28-15/h8-9,12-13,18,24H,4-7,10-11H2,1-3H3,(H,21,23,25)