4-(2-methylphenoxy)-3-(3-methylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid

Systemtic Name: 4-(2-methylphenoxy)-3-(3-methylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid Openeye Name: 4-(2-methylphenoxy)-3-(3-methylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid CAS Name: 4-(2-methylphenoxy)-3-(3-methyl-1-pyrrolidinyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-(2-methylphenoxy)-3-(3-methylpyrrolidin-1-yl)-5-sulfamoylbenzoic acid Traditional Name: 4-(2-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=C3C

Isomeric SMILES

CC1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=CC=C3C

InChI

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