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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-methoxyphenyl)propanamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-methoxyphenyl)propanamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-methoxyphenyl)propanamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-methoxyphenyl)propanamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-methoxyphenyl)propionamide Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H22N2O6S/c1-25-15-5-3-14(4-6-15)21-19(22)9-10-20-28(23,24)16-7-8-17-18(13-16)27-12-2-11-26-17/h3-8,13,20H,2,9-12H2,1H3,(H,21,22)