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

Systemtic Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(4-methoxy-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide Formula: C20H21N3O6S2 MolecularWeight: 463.52724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=NC2=C(C=CC=C2S1)OC)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN(CC(=O)NC1=NC2=C(C=CC=C2S1)OC)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H21N3O6S2/c1-23(31(25,26)13-7-8-14-16(11-13)29-10-4-9-28-14)12-18(24)21-20-22-19-15(27-2)5-3-6-17(19)30-20/h3,5-8,11H,4,9-10,12H2,1-2H3,(H,21,22,24)