3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)benzamide Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(S1)NC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C)C1=NN=C(S1)NC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H22N4O5S2/c1-13(2)20-23-24-21(31-20)22-19(26)14-5-3-6-15(11-14)25-32(27,28)16-7-8-17-18(12-16)30-10-4-9-29-17/h3,5-8,11-13,25H,4,9-10H2,1-2H3,(H,22,24,26)