3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4,5-dimethylthiazol-2-yl)propanamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4,5-dimethyl-2-thiazolyl)propanamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4,5-dimethylthiazol-2-yl)propionamide Formula: C17H21N3O5S2 MolecularWeight: 411.49574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C

InChI

InChI=1S/C17H21N3O5S2/c1-11-12(2)26-17(19-11)20-16(21)6-7-18-27(22,23)13-4-5-14-15(10-13)25-9-3-8-24-14/h4-5,10,18H,3,6-9H2,1-2H3,(H,19,20,21)