4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzoic acid

Systemtic Name: 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzoic acid Openeye Name: 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzoic acid CAS Name: 4-phenoxy-3-(1-pyrrolidinyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid Traditional Name: 4-phenoxy-3-pyrrolidino-5-sulfamoyl-benzoic acid Formula: C34H36N4O10S2 MolecularWeight: 724.80044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C17H18N2O5S/c2*18-25(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/h2*1-3,6-7,10-11H,4-5,8-9H2,(H,20,21)(H2,18,22,23)