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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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