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

Systemtic Name: 3-[[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]sulfamoyl]-4-methyl-benzoic acid Openeye Name: 3-[[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]sulfamoyl]-4-methyl-benzoic acid CAS Name: 3-[[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]sulfamoyl]-4-methylbenzoic acid IUPAC Name: 3-[[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]sulfamoyl]-4-methylbenzoic acid Traditional Name: 3-[[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]sulfamoyl]-4-methyl-benzoic acid Formula: C20H27N3O6S2 MolecularWeight: 469.57488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O6S2/c1-5-21-17-11-10-16(31(28,29)23(6-2)7-3)13-18(17)22-30(26,27)19-12-15(20(24)25)9-8-14(19)4/h8-13,21-22H,5-7H2,1-4H3,(H,24,25)