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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)propionamide Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S2/c1-13-3-5-15-18(11-13)29-20(22-15)23-19(24)7-8-21-30(25,26)14-4-6-16-17(12-14)28-10-2-9-27-16/h3-6,11-12,21H,2,7-10H2,1H3,(H,22,23,24)