4-[4-(dimethylamino)phenoxy]-3-(3-methylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid

Systemtic Name: 4-[4-(dimethylamino)phenoxy]-3-(3-methylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid Openeye Name: 4-[4-(dimethylamino)phenoxy]-3-(3-methylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid CAS Name: 4-[4-(dimethylamino)phenoxy]-3-(3-methyl-1-pyrrolidinyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-[4-(dimethylamino)phenoxy]-3-(3-methylpyrrolidin-1-yl)-5-sulfamoylbenzoic acid Traditional Name: 4-[4-(dimethylamino)phenoxy]-3-(3-methylpyrrolidino)-5-sulfamoyl-benzoic acid Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C20H25N3O5S/c1-13-8-9-23(12-13)17-10-14(20(24)25)11-18(29(21,26)27)19(17)28-16-6-4-15(5-7-16)22(2)3/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,24,25)(H2,21,26,27)