2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Formula: C20H21N3O6S2 MolecularWeight: 463.52724

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=NC2=C(S1)C=C(C=C2)OC)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN(CC(=O)NC1=NC2=C(S1)C=C(C=C2)OC)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H21N3O6S2/c1-23(31(25,26)14-5-7-16-17(11-14)29-9-3-8-28-16)12-19(24)22-20-21-15-6-4-13(27-2)10-18(15)30-20/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,21,22,24)