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

Systemtic Name: 4-(4-nitrophenoxy)-3-pyrrolidin-1-yl-5-sulfamoyl-benzoic acid Openeye Name: 4-(4-nitrophenoxy)-3-pyrrolidin-1-yl-5-sulfamoyl-benzoic acid CAS Name: 4-(4-nitrophenoxy)-3-(1-pyrrolidinyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-(4-nitrophenoxy)-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid Traditional Name: 4-(4-nitrophenoxy)-3-pyrrolidino-5-sulfamoyl-benzoic acid Formula: C17H17N3O7S MolecularWeight: 407.39778

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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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O7S/c18-28(25,26)15-10-11(17(21)22)9-14(19-7-1-2-8-19)16(15)27-13-5-3-12(4-6-13)20(23)24/h3-6,9-10H,1-2,7-8H2,(H,21,22)(H2,18,25,26)