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

Systemtic Name: (E)-3-[3,4-dimethoxy-5-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3,4-dimethoxy-5-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[3,4-dimethoxy-5-[[3-(2-pyrazinyloxy)phenyl]sulfamoyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3,4-dimethoxy-5-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3,4-dimethoxy-5-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]phenyl]acrylic acid Formula: C21H19N3O7S MolecularWeight: 457.45646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)NC2=CC(=CC=C2)OC3=NC=CN=C3)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)O)S(=O)(=O)NC2=CC(=CC=C2)OC3=NC=CN=C3)OC

InChI

InChI=1S/C21H19N3O7S/c1-29-17-10-14(6-7-20(25)26)11-18(21(17)30-2)32(27,28)24-15-4-3-5-16(12-15)31-19-13-22-8-9-23-19/h3-13,24H,1-2H3,(H,25,26)/b7-6+