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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-15-6-3-7-18(16(15)2)23-21(24)8-4-11-22-29(25,26)17-9-10-19-20(14-17)28-13-5-12-27-19/h3,6-7,9-10,14,22H,4-5,8,11-13H2,1-2H3,(H,23,24)