2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(4-phenyl-1,3-thiazol-2-yl)ethanamide

Systemtic Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(4-phenyl-1,3-thiazol-2-yl)ethanamide Openeye Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(4-phenylthiazol-2-yl)acetamide CAS Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(4-phenyl-2-thiazolyl)acetamide IUPAC Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide Traditional Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(4-phenylthiazol-2-yl)acetamide Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=NC(=CS1)C2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN(CC(=O)NC1=NC(=CS1)C2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H21N3O5S2/c1-24(31(26,27)16-8-9-18-19(12-16)29-11-5-10-28-18)13-20(25)23-21-22-17(14-30-21)15-6-3-2-4-7-15/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,22,23,25)