4-phenyl-3-pyrrolidin-1-yl-5-sulfamoyl-2-sulfooxy-benzoic acid

Systemtic Name: 4-phenyl-3-pyrrolidin-1-yl-5-sulfamoyl-2-sulfooxy-benzoic acid Openeye Name: 4-phenyl-3-pyrrolidin-1-yl-5-sulfamoyl-2-sulfooxy-benzoic acid CAS Name: 4-phenyl-3-(1-pyrrolidinyl)-5-sulfamoyl-2-sulfooxybenzoic acid IUPAC Name: 4-phenyl-3-pyrrolidin-1-yl-5-sulfamoyl-2-sulfooxybenzoic acid Traditional Name: 4-phenyl-3-pyrrolidino-5-sulfamoyl-2-sulfoxy-benzoic acid Formula: C17H18N2O8S2 MolecularWeight: 442.46342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=CC(=C2C3=CC=CC=C3)S(=O)(=O)N)C(=O)O)OS(=O)(=O)O

Isomeric SMILES

C1CCN(C1)C2=C(C(=CC(=C2C3=CC=CC=C3)S(=O)(=O)N)C(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C17H18N2O8S2/c18-28(22,23)13-10-12(17(20)21)16(27-29(24,25)26)15(19-8-4-5-9-19)14(13)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,20,21)(H2,18,22,23)(H,24,25,26)