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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC1C)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)CC3=CC=CC=C3

Isomeric SMILES

CC1CN(CC1C)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)CC3=CC=CC=C3

InChI

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