3-(cyclopropylmethylamino)-4-(2,4-dimethylphenoxy)-5-sulfamoyl-benzoic acid

Systemtic Name: 3-(cyclopropylmethylamino)-4-(2,4-dimethylphenoxy)-5-sulfamoyl-benzoic acid Openeye Name: 3-(cyclopropylmethylamino)-4-(2,4-dimethylphenoxy)-5-sulfamoyl-benzoic acid CAS Name: 3-(cyclopropylmethylamino)-4-(2,4-dimethylphenoxy)-5-sulfamoylbenzoic acid IUPAC Name: 3-(cyclopropylmethylamino)-4-(2,4-dimethylphenoxy)-5-sulfamoylbenzoic acid Traditional Name: 3-(cyclopropylmethylamino)-4-(2,4-dimethylphenoxy)-5-sulfamoyl-benzoic acid Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCC3CC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCC3CC3)C

InChI

InChI=1S/C19H22N2O5S/c1-11-3-6-16(12(2)7-11)26-18-15(21-10-13-4-5-13)8-14(19(22)23)9-17(18)27(20,24)25/h3,6-9,13,21H,4-5,10H2,1-2H3,(H,22,23)(H2,20,24,25)