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

Systemtic Name: 3-piperidin-1-yl-4-(4-propylphenoxy)-5-sulfamoyl-benzoic acid Openeye Name: 3-(1-piperidyl)-4-(4-propylphenoxy)-5-sulfamoyl-benzoic acid CAS Name: 3-(1-piperidinyl)-4-(4-propylphenoxy)-5-sulfamoylbenzoic acid IUPAC Name: 3-piperidin-1-yl-4-(4-propylphenoxy)-5-sulfamoylbenzoic acid Traditional Name: 3-piperidino-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)N3CCCCC3

Isomeric SMILES

CCCC1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N3CCCCC3

InChI

InChI=1S/C21H26N2O5S/c1-2-6-15-7-9-17(10-8-15)28-20-18(23-11-4-3-5-12-23)13-16(21(24)25)14-19(20)29(22,26)27/h7-10,13-14H,2-6,11-12H2,1H3,(H,24,25)(H2,22,26,27)