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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(3-propan-2-ylphenyl)propanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(3-isopropylphenyl)propanamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(3-propan-2-ylphenyl)propanamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(3-propan-2-ylphenyl)propanamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-m-cumenyl-propionamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)NC(=O)C(C)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C)C1=CC(=CC=C1)NC(=O)C(C)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H26N2O5S/c1-14(2)16-6-4-7-17(12-16)22-21(24)15(3)23-29(25,26)18-8-9-19-20(13-18)28-11-5-10-27-19/h4,6-9,12-15,23H,5,10-11H2,1-3H3,(H,22,24)