3-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]sulfamoyl]-4-methyl-benzoic acid

Systemtic Name: 3-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]sulfamoyl]-4-methyl-benzoic acid Openeye Name: 3-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]sulfamoyl]-4-methyl-benzoic acid CAS Name: 3-[[2-[(1,3-benzodioxol-5-ylamino)-oxomethyl]phenyl]sulfamoyl]-4-methylbenzoic acid IUPAC Name: 3-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]sulfamoyl]-4-methylbenzoic acid Traditional Name: 3-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]sulfamoyl]-4-methyl-benzoic acid Formula: C22H18N2O7S MolecularWeight: 454.45252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H18N2O7S/c1-13-6-7-14(22(26)27)10-20(13)32(28,29)24-17-5-3-2-4-16(17)21(25)23-15-8-9-18-19(11-15)31-12-30-18/h2-11,24H,12H2,1H3,(H,23,25)(H,26,27)