3-[4-[[4-(3,4-dimethylphenyl)sulfanylphenyl]sulfamoyl]phenyl]prop-2-enoic acid

Systemtic Name: 3-[4-[[4-(3,4-dimethylphenyl)sulfanylphenyl]sulfamoyl]phenyl]prop-2-enoic acid Openeye Name: 3-[4-[[4-(3,4-dimethylphenyl)sulfanylphenyl]sulfamoyl]phenyl]prop-2-enoic acid CAS Name: 3-[4-[[4-[(3,4-dimethylphenyl)thio]phenyl]sulfamoyl]phenyl]-2-propenoic acid IUPAC Name: 3-[4-[[4-(3,4-dimethylphenyl)sulfanylphenyl]sulfamoyl]phenyl]prop-2-enoic acid Traditional Name: 3-[4-[[4-[(3,4-dimethylphenyl)thio]phenyl]sulfamoyl]phenyl]acrylic acid Formula: C23H21NO4S2 MolecularWeight: 439.54714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C=CC(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C=CC(=O)O)C

InChI

InChI=1S/C23H21NO4S2/c1-16-3-9-21(15-17(16)2)29-20-10-7-19(8-11-20)24-30(27,28)22-12-4-18(5-13-22)6-14-23(25)26/h3-15,24H,1-2H3,(H,25,26)