3-(2,5-diethylpyrrolidin-1-yl)-4-phenyl-5-sulfamoyl-benzoic acid

Systemtic Name: 3-(2,5-diethylpyrrolidin-1-yl)-4-phenyl-5-sulfamoyl-benzoic acid Openeye Name: 3-(2,5-diethylpyrrolidin-1-yl)-4-phenyl-5-sulfamoyl-benzoic acid CAS Name: 3-(2,5-diethyl-1-pyrrolidinyl)-4-phenyl-5-sulfamoylbenzoic acid IUPAC Name: 3-(2,5-diethylpyrrolidin-1-yl)-4-phenyl-5-sulfamoylbenzoic acid Traditional Name: 3-(2,5-diethylpyrrolidino)-4-phenyl-5-sulfamoyl-benzoic acid Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(N1C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)C3=CC=CC=C3)CC

Isomeric SMILES

CCC1CCC(N1C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)C3=CC=CC=C3)CC

InChI

InChI=1S/C21H26N2O4S/c1-3-16-10-11-17(4-2)23(16)18-12-15(21(24)25)13-19(28(22,26)27)20(18)14-8-6-5-7-9-14/h5-9,12-13,16-17H,3-4,10-11H2,1-2H3,(H,24,25)(H2,22,26,27)