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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,5-dimethylphenyl)propanamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,5-dimethylphenyl)propanamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,5-dimethylphenyl)propanamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,5-dimethylphenyl)propanamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,5-dimethylphenyl)propionamide Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O5S/c1-14-4-5-15(2)17(12-14)22-20(23)8-9-21-28(24,25)16-6-7-18-19(13-16)27-11-3-10-26-18/h4-7,12-13,21H,3,8-11H2,1-2H3,(H,22,23)