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

Systemtic Name: 4-(4-azanylphenoxy)-3-(2-methylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid Openeye Name: 4-(4-aminophenoxy)-3-(2-methylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid CAS Name: 4-(4-aminophenoxy)-3-(2-methyl-1-pyrrolidinyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-(4-aminophenoxy)-3-(2-methylpyrrolidin-1-yl)-5-sulfamoylbenzoic acid Traditional Name: 4-(4-aminophenoxy)-3-(2-methylpyrrolidino)-5-sulfamoyl-benzoic acid Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN1C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=C(C=C3)N

Isomeric SMILES

CC1CCCN1C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=C(C=C3)N

InChI

InChI=1S/C18H21N3O5S/c1-11-3-2-8-21(11)15-9-12(18(22)23)10-16(27(20,24)25)17(15)26-14-6-4-13(19)5-7-14/h4-7,9-11H,2-3,8,19H2,1H3,(H,22,23)(H2,20,24,25)