3-[(4-bromophenyl)sulfonylamino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide

Systemtic Name: 3-[(4-bromophenyl)sulfonylamino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide Openeye Name: 3-[(4-bromophenyl)sulfonylamino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide CAS Name: 3-[(4-bromophenyl)sulfonylamino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide IUPAC Name: 3-[(4-bromophenyl)sulfonylamino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide Traditional Name: 3-(brosylamino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propionamide Formula: C18H19BrN2O5S MolecularWeight: 455.32286

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)Br)OC1

InChI

InChI=1S/C18H19BrN2O5S/c19-13-2-5-15(6-3-13)27(23,24)20-9-8-18(22)21-14-4-7-16-17(12-14)26-11-1-10-25-16/h2-7,12,20H,1,8-11H2,(H,21,22)