(E)-3-[3,4-dimethoxy-5-[(pyrazin-2-ylcarbonylamino)sulfamoyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3,4-dimethoxy-5-[(pyrazin-2-ylcarbonylamino)sulfamoyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3,4-dimethoxy-5-[(pyrazine-2-carbonylamino)sulfamoyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[3,4-dimethoxy-5-[[[oxo(2-pyrazinyl)methyl]amino]sulfamoyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3,4-dimethoxy-5-[(pyrazine-2-carbonylamino)sulfamoyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3,4-dimethoxy-5-[(pyrazinoylamino)sulfamoyl]phenyl]acrylic acid Formula: C16H16N4O7S MolecularWeight: 408.38584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)NNC(=O)C2=NC=CN=C2)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)O)S(=O)(=O)NNC(=O)C2=NC=CN=C2)OC

InChI

InChI=1S/C16H16N4O7S/c1-26-12-7-10(3-4-14(21)22)8-13(15(12)27-2)28(24,25)20-19-16(23)11-9-17-5-6-18-11/h3-9,20H,1-2H3,(H,19,23)(H,21,22)/b4-3+