4-(3-methylphenoxy)-3-(3-methylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid

Systemtic Name: 4-(3-methylphenoxy)-3-(3-methylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid Openeye Name: 4-(3-methylphenoxy)-3-(3-methylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid CAS Name: 4-(3-methylphenoxy)-3-(3-methyl-1-pyrrolidinyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-(3-methylphenoxy)-3-(3-methylpyrrolidin-1-yl)-5-sulfamoylbenzoic acid Traditional Name: 4-(3-methylphenoxy)-3-(3-methylpyrrolidino)-5-sulfamoyl-benzoic acid Formula: C19H22N2O5S MolecularWeight: 390.45338

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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=CC(=C3)C

Isomeric SMILES

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

InChI

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