3-(3,3-dimethylpyrrolidin-1-yl)-4-(phenylmethyl)-5-sulfamoyl-benzoic acid

Systemtic Name: 3-(3,3-dimethylpyrrolidin-1-yl)-4-(phenylmethyl)-5-sulfamoyl-benzoic acid Openeye Name: 4-benzyl-3-(3,3-dimethylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid CAS Name: 3-(3,3-dimethyl-1-pyrrolidinyl)-4-(phenylmethyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-benzyl-3-(3,3-dimethylpyrrolidin-1-yl)-5-sulfamoylbenzoic acid Traditional Name: 4-benzyl-3-(3,3-dimethylpyrrolidino)-5-sulfamoyl-benzoic acid Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)CC3=CC=CC=C3)C

Isomeric SMILES

CC1(CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)CC3=CC=CC=C3)C

InChI

InChI=1S/C20H24N2O4S/c1-20(2)8-9-22(13-20)17-11-15(19(23)24)12-18(27(21,25)26)16(17)10-14-6-4-3-5-7-14/h3-7,11-12H,8-10,13H2,1-2H3,(H,23,24)(H2,21,25,26)