2-acetyloxybenzoic acid; 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzoic acid

Systemtic Name: 2-acetyloxybenzoic acid; 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzoic acid Openeye Name: 2-acetoxybenzoic acid; 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzoic acid CAS Name: 2-acetyloxybenzoic acid; 4-phenoxy-3-(1-pyrrolidinyl)-5-sulfamoylbenzoic acid IUPAC Name: 2-acetyloxybenzoic acid; 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid Traditional Name: 2-acetoxybenzoic acid; 4-phenoxy-3-pyrrolidino-5-sulfamoyl-benzoic acid Formula: C26H26N2O9S MolecularWeight: 542.55764

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)O.C1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=CC=C3

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)O.C1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=CC=C3

InChI

InChI=1S/C17H18N2O5S.C9H8O4/c18-25(22,23)15-11-12(17(20)21)10-14(19-8-4-5-9-19)16(15)24-13-6-2-1-3-7-13;1-6(10)13-8-5-3-2-4-7(8)9(11)12/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,21)(H2,18,22,23);2-5H,1H3,(H,11,12)