methyl 3-(4-bromophenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate

Systemtic Name: methyl 3-(4-bromophenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate Openeye Name: methyl 3-(4-bromophenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate CAS Name: 3-(4-bromophenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoic acid methyl ester IUPAC Name: methyl 3-(4-bromophenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate Traditional Name: 3-(4-bromophenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propionic acid methyl ester Formula: C19H20BrNO6S MolecularWeight: 470.3342

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=C(C=C1)Br)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC(=O)CC(C1=CC=C(C=C1)Br)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H20BrNO6S/c1-25-19(22)12-16(13-3-5-14(20)6-4-13)21-28(23,24)15-7-8-17-18(11-15)27-10-2-9-26-17/h3-8,11,16,21H,2,9-10,12H2,1H3