3-[[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]sulfamoyl]-4-methyl-benzoic acid

Systemtic Name: 3-[[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]sulfamoyl]-4-methyl-benzoic acid Openeye Name: 3-[[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]sulfamoyl]-4-methyl-benzoic acid CAS Name: 3-[[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]sulfamoyl]-4-methylbenzoic acid IUPAC Name: 3-[[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]sulfamoyl]-4-methylbenzoic acid Traditional Name: 3-[[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]sulfamoyl]-4-methyl-benzoic acid Formula: C18H23N3O6S2 MolecularWeight: 441.52172

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)C

Isomeric SMILES

CCNC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)C

InChI

InChI=1S/C18H23N3O6S2/c1-5-19-15-9-8-14(29(26,27)21(3)4)11-16(15)20-28(24,25)17-10-13(18(22)23)7-6-12(17)2/h6-11,19-20H,5H2,1-4H3,(H,22,23)