4-[(4-methoxyphenyl)methyl]-3-(3-methylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid

Systemtic Name: 4-[(4-methoxyphenyl)methyl]-3-(3-methylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid Openeye Name: 4-[(4-methoxyphenyl)methyl]-3-(3-methylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid CAS Name: 4-[(4-methoxyphenyl)methyl]-3-(3-methyl-1-pyrrolidinyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-[(4-methoxyphenyl)methyl]-3-(3-methylpyrrolidin-1-yl)-5-sulfamoylbenzoic acid Traditional Name: 3-(3-methylpyrrolidino)-4-p-anisyl-5-sulfamoyl-benzoic acid Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H24N2O5S/c1-13-7-8-22(12-13)18-10-15(20(23)24)11-19(28(21,25)26)17(18)9-14-3-5-16(27-2)6-4-14/h3-6,10-11,13H,7-9,12H2,1-2H3,(H,23,24)(H2,21,25,26)