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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propionamide Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CCNS(=O)(=O)C3=CC4=C(C=C3)OCCCO4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CCNS(=O)(=O)C3=CC4=C(C=C3)OCCCO4)C

InChI

InChI=1S/C21H23N3O5S2/c1-13-10-14(2)20-18(11-13)30-21(24-20)23-19(25)6-7-22-31(26,27)15-4-5-16-17(12-15)29-9-3-8-28-16/h4-5,10-12,22H,3,6-9H2,1-2H3,(H,23,24,25)