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

Systemtic Name: 3-(3-methylpyrrolidin-1-yl)-4-(phenylsulfinyl)-5-sulfamoyl-benzoic acid Openeye Name: 4-(benzenesulfinyl)-3-(3-methylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid CAS Name: 4-(benzenesulfinyl)-3-(3-methyl-1-pyrrolidinyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-(benzenesulfinyl)-3-(3-methylpyrrolidin-1-yl)-5-sulfamoylbenzoic acid Traditional Name: 4-(benzenesulfinyl)-3-(3-methylpyrrolidino)-5-sulfamoyl-benzoic acid Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O5S2/c1-12-7-8-20(11-12)15-9-13(18(21)22)10-16(27(19,24)25)17(15)26(23)14-5-3-2-4-6-14/h2-6,9-10,12H,7-8,11H2,1H3,(H,21,22)(H2,19,24,25)