phenethyl (E)-3-[3,4-bis(oxidanyl)phenyl]-2-(4-sulfamoylphenyl)prop-2-enoate

Systemtic Name: phenethyl (E)-3-[3,4-bis(oxidanyl)phenyl]-2-(4-sulfamoylphenyl)prop-2-enoate Openeye Name: phenethyl (E)-3-(3,4-dihydroxyphenyl)-2-(4-sulfamoylphenyl)prop-2-enoate CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-(4-sulfamoylphenyl)-2-propenoic acid phenethyl ester IUPAC Name: phenethyl (E)-3-(3,4-dihydroxyphenyl)-2-(4-sulfamoylphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-dihydroxyphenyl)-2-(4-sulfamoylphenyl)acrylic acid phenethyl ester Formula: C23H21NO6S MolecularWeight: 439.48094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)C(=CC2=CC(=C(C=C2)O)O)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C23H21NO6S/c24-31(28,29)19-9-7-18(8-10-19)20(14-17-6-11-21(25)22(26)15-17)23(27)30-13-12-16-4-2-1-3-5-16/h1-11,14-15,25-26H,12-13H2,(H2,24,28,29)/b20-14+