4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,5-dimethylphenyl)butanamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,5-dimethylphenyl)butanamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,5-dimethylphenyl)butanamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,5-dimethylphenyl)butanamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,5-dimethylphenyl)butanamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,5-dimethylphenyl)butyramide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CCCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CCCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H26N2O5S/c1-15-6-7-16(2)18(13-15)23-21(24)5-3-10-22-29(25,26)17-8-9-19-20(14-17)28-12-4-11-27-19/h6-9,13-14,22H,3-5,10-12H2,1-2H3,(H,23,24)