4-[3-(dimethylamino)phenoxy]-3-(2,5-dimethylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid

Systemtic Name: 4-[3-(dimethylamino)phenoxy]-3-(2,5-dimethylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid Openeye Name: 4-[3-(dimethylamino)phenoxy]-3-(2,5-dimethylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid CAS Name: 4-[3-(dimethylamino)phenoxy]-3-(2,5-dimethyl-1-pyrrolidinyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-[3-(dimethylamino)phenoxy]-3-(2,5-dimethylpyrrolidin-1-yl)-5-sulfamoylbenzoic acid Traditional Name: 4-[3-(dimethylamino)phenoxy]-3-(2,5-dimethylpyrrolidino)-5-sulfamoyl-benzoic acid Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(N1C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=CC(=C3)N(C)C)C

Isomeric SMILES

CC1CCC(N1C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=CC(=C3)N(C)C)C

InChI

InChI=1S/C21H27N3O5S/c1-13-8-9-14(2)24(13)18-10-15(21(25)26)11-19(30(22,27)28)20(18)29-17-7-5-6-16(12-17)23(3)4/h5-7,10-14H,8-9H2,1-4H3,(H,25,26)(H2,22,27,28)