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

Systemtic Name: 4-(3,5-dimethylphenoxy)-3-piperidin-1-yl-5-sulfamoyl-benzoic acid Openeye Name: 4-(3,5-dimethylphenoxy)-3-(1-piperidyl)-5-sulfamoyl-benzoic acid CAS Name: 4-(3,5-dimethylphenoxy)-3-(1-piperidinyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-(3,5-dimethylphenoxy)-3-piperidin-1-yl-5-sulfamoylbenzoic acid Traditional Name: 4-(3,5-dimethylphenoxy)-3-piperidino-5-sulfamoyl-benzoic acid Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N3CCCCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N3CCCCC3)C

InChI

InChI=1S/C20H24N2O5S/c1-13-8-14(2)10-16(9-13)27-19-17(22-6-4-3-5-7-22)11-15(20(23)24)12-18(19)28(21,25)26/h8-12H,3-7H2,1-2H3,(H,23,24)(H2,21,25,26)