3-(3-methylpyrrolidin-1-yl)-4-(4-propylphenoxy)-5-sulfamoyl-benzoic acid

Systemtic Name: 3-(3-methylpyrrolidin-1-yl)-4-(4-propylphenoxy)-5-sulfamoyl-benzoic acid Openeye Name: 3-(3-methylpyrrolidin-1-yl)-4-(4-propylphenoxy)-5-sulfamoyl-benzoic acid CAS Name: 3-(3-methyl-1-pyrrolidinyl)-4-(4-propylphenoxy)-5-sulfamoylbenzoic acid IUPAC Name: 3-(3-methylpyrrolidin-1-yl)-4-(4-propylphenoxy)-5-sulfamoylbenzoic acid Traditional Name: 3-(3-methylpyrrolidino)-4-(4-propylphenoxy)-5-sulfamoyl-benzoic acid Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N3CCC(C3)C

Isomeric SMILES

CCCC1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N3CCC(C3)C

InChI

InChI=1S/C21H26N2O5S/c1-3-4-15-5-7-17(8-6-15)28-20-18(23-10-9-14(2)13-23)11-16(21(24)25)12-19(20)29(22,26)27/h5-8,11-12,14H,3-4,9-10,13H2,1-2H3,(H,24,25)(H2,22,26,27)