2-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonylamino)phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonylamino)phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(oxo)methyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-carbonylamino)phenyl]sulfonylamino]acetic acid Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O7S/c21-17(22)11-19-28(24,25)14-5-3-13(4-6-14)20-18(23)12-2-7-15-16(10-12)27-9-1-8-26-15/h2-7,10,19H,1,8-9,11H2,(H,20,23)(H,21,22)