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

Systemtic Name: (E)-3-[3,4-dimethoxy-5-[(4-pentylphenyl)sulfamoyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3,4-dimethoxy-5-[(4-pentylphenyl)sulfamoyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[3,4-dimethoxy-5-[(4-pentylphenyl)sulfamoyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3,4-dimethoxy-5-[(4-pentylphenyl)sulfamoyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-[(4-amylphenyl)sulfamoyl]-4,5-dimethoxy-phenyl]acrylic acid Formula: C22H27NO6S MolecularWeight: 433.51788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=CC(=C2OC)OC)C=CC(=O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=CC(=C2OC)OC)/C=C/C(=O)O

InChI

InChI=1S/C22H27NO6S/c1-4-5-6-7-16-8-11-18(12-9-16)23-30(26,27)20-15-17(10-13-21(24)25)14-19(28-2)22(20)29-3/h8-15,23H,4-7H2,1-3H3,(H,24,25)/b13-10+