2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butyramide Formula: C22H25N3O5S2 MolecularWeight: 475.581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C(C)C)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C(C)C)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H25N3O5S2/c1-13(2)20(21(26)24-22-23-16-7-5-14(3)11-19(16)31-22)25-32(27,28)15-6-8-17-18(12-15)30-10-4-9-29-17/h5-8,11-13,20,25H,4,9-10H2,1-3H3,(H,23,24,26)