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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NC3=CC(=CC=C3)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NC3=CC(=CC=C3)Br)OC1

InChI

InChI=1S/C18H19BrN2O5S/c19-13-3-1-4-14(11-13)21-18(22)7-8-20-27(23,24)15-5-6-16-17(12-15)26-10-2-9-25-16/h1,3-6,11-12,20H,2,7-10H2,(H,21,22)