2-[[4-(1,3-benzodioxol-5-ylcarbonylamino)phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylcarbonylamino)phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-(1,3-benzodioxole-5-carbonylamino)phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-(1,3-benzodioxole-5-carbonylamino)phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-(piperonyloylamino)phenyl]sulfonylamino]acetic acid Formula: C16H14N2O7S MolecularWeight: 378.35656

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C16H14N2O7S/c19-15(20)8-17-26(22,23)12-4-2-11(3-5-12)18-16(21)10-1-6-13-14(7-10)25-9-24-13/h1-7,17H,8-9H2,(H,18,21)(H,19,20)