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

Systemtic Name: (E)-3-[3,4-dimethoxy-5-[(3-morpholin-4-ylsulfonylphenyl)sulfamoyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3,4-dimethoxy-5-[(3-morpholinosulfonylphenyl)sulfamoyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[3,4-dimethoxy-5-[[3-(4-morpholinylsulfonyl)phenyl]sulfamoyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3,4-dimethoxy-5-[(3-morpholin-4-ylsulfonylphenyl)sulfamoyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3,4-dimethoxy-5-[(3-morpholinosulfonylphenyl)sulfamoyl]phenyl]acrylic acid Formula: C21H24N2O9S2 MolecularWeight: 512.55326

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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)S(=O)(=O)N3CCOCC3)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)O)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)OC

InChI

InChI=1S/C21H24N2O9S2/c1-30-18-12-15(6-7-20(24)25)13-19(21(18)31-2)33(26,27)22-16-4-3-5-17(14-16)34(28,29)23-8-10-32-11-9-23/h3-7,12-14,22H,8-11H2,1-2H3,(H,24,25)/b7-6+