3-(cyclopropylmethylamino)-4-(3,4-dimethoxyphenoxy)-5-sulfamoyl-benzoic acid

Systemtic Name: 3-(cyclopropylmethylamino)-4-(3,4-dimethoxyphenoxy)-5-sulfamoyl-benzoic acid Openeye Name: 3-(cyclopropylmethylamino)-4-(3,4-dimethoxyphenoxy)-5-sulfamoyl-benzoic acid CAS Name: 3-(cyclopropylmethylamino)-4-(3,4-dimethoxyphenoxy)-5-sulfamoylbenzoic acid IUPAC Name: 3-(cyclopropylmethylamino)-4-(3,4-dimethoxyphenoxy)-5-sulfamoylbenzoic acid Traditional Name: 3-(cyclopropylmethylamino)-4-(3,4-dimethoxyphenoxy)-5-sulfamoyl-benzoic acid Formula: C19H22N2O7S MolecularWeight: 422.45218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCC3CC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCC3CC3)OC

InChI

InChI=1S/C19H22N2O7S/c1-26-15-6-5-13(9-16(15)27-2)28-18-14(21-10-11-3-4-11)7-12(19(22)23)8-17(18)29(20,24)25/h5-9,11,21H,3-4,10H2,1-2H3,(H,22,23)(H2,20,24,25)