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

Systemtic Name: 4-(phenylmethyl)-3-pyrrolidin-1-yl-5-sulfamoyl-benzoic acid Openeye Name: 4-benzyl-3-pyrrolidin-1-yl-5-sulfamoyl-benzoic acid CAS Name: 4-(phenylmethyl)-3-(1-pyrrolidinyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-benzyl-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid Traditional Name: 4-benzyl-3-pyrrolidino-5-sulfamoyl-benzoic acid Formula: C18H20N2O4S MolecularWeight: 360.4274

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4S/c19-25(23,24)17-12-14(18(21)22)11-16(20-8-4-5-9-20)15(17)10-13-6-2-1-3-7-13/h1-3,6-7,11-12H,4-5,8-10H2,(H,21,22)(H2,19,23,24)