3-[3,4-dimethoxy-5-(phenethylsulfamoyl)phenyl]prop-2-enoic acid

Systemtic Name: 3-[3,4-dimethoxy-5-(phenethylsulfamoyl)phenyl]prop-2-enoic acid Openeye Name: 3-[3,4-dimethoxy-5-(phenethylsulfamoyl)phenyl]prop-2-enoic acid CAS Name: 3-[3,4-dimethoxy-5-(phenethylsulfamoyl)phenyl]-2-propenoic acid IUPAC Name: 3-[3,4-dimethoxy-5-(phenethylsulfamoyl)phenyl]prop-2-enoic acid Traditional Name: 3-[3,4-dimethoxy-5-(phenethylsulfamoyl)phenyl]acrylic acid Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)NCCC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)NCCC2=CC=CC=C2)OC

InChI

InChI=1S/C19H21NO6S/c1-25-16-12-15(8-9-18(21)22)13-17(19(16)26-2)27(23,24)20-11-10-14-6-4-3-5-7-14/h3-9,12-13,20H,10-11H2,1-2H3,(H,21,22)