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

Systemtic Name: 3-(3-methylpyrrolidin-1-yl)-4-(4-oxidanylphenoxy)-5-sulfamoyl-benzoic acid Openeye Name: 4-(4-hydroxyphenoxy)-3-(3-methylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid CAS Name: 4-(4-hydroxyphenoxy)-3-(3-methyl-1-pyrrolidinyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-(4-hydroxyphenoxy)-3-(3-methylpyrrolidin-1-yl)-5-sulfamoylbenzoic acid Traditional Name: 4-(4-hydroxyphenoxy)-3-(3-methylpyrrolidino)-5-sulfamoyl-benzoic acid Formula: C18H20N2O6S MolecularWeight: 392.4262

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O6S/c1-11-6-7-20(10-11)15-8-12(18(22)23)9-16(27(19,24)25)17(15)26-14-4-2-13(21)3-5-14/h2-5,8-9,11,21H,6-7,10H2,1H3,(H,22,23)(H2,19,24,25)