4-[(4-aminophenyl)methyl]-3-pyrrolidin-1-yl-5-sulfamoyl-benzoic acid

Systemtic Name: 4-[(4-aminophenyl)methyl]-3-pyrrolidin-1-yl-5-sulfamoyl-benzoic acid Openeye Name: 4-[(4-aminophenyl)methyl]-3-pyrrolidin-1-yl-5-sulfamoyl-benzoic acid CAS Name: 4-[(4-aminophenyl)methyl]-3-(1-pyrrolidinyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-[(4-aminophenyl)methyl]-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid Traditional Name: 4-(4-aminobenzyl)-3-pyrrolidino-5-sulfamoyl-benzoic acid Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)CC3=CC=C(C=C3)N

Isomeric SMILES

C1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)CC3=CC=C(C=C3)N

InChI

InChI=1S/C18H21N3O4S/c19-14-5-3-12(4-6-14)9-15-16(21-7-1-2-8-21)10-13(18(22)23)11-17(15)26(20,24)25/h3-6,10-11H,1-2,7-9,19H2,(H,22,23)(H2,20,24,25)