3,4-dimethyl-5-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentylsulfamoyl]benzoic acid

Systemtic Name: 3,4-dimethyl-5-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentylsulfamoyl]benzoic acid Openeye Name: 3,4-dimethyl-5-[5-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]pentylsulfamoyl]benzoic acid CAS Name: 3,4-dimethyl-5-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentylsulfamoyl]benzoic acid IUPAC Name: 3,4-dimethyl-5-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentylsulfamoyl]benzoic acid Traditional Name: 3,4-dimethyl-5-[5-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]pentylsulfamoyl]benzoic acid Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NCCCCCC2=NC(=NO2)C3=CC=CS3)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NCCCCCC2=NC(=NO2)C3=CC=CS3)C

InChI

InChI=1S/C20H23N3O5S2/c1-13-11-15(20(24)25)12-17(14(13)2)30(26,27)21-9-5-3-4-8-18-22-19(23-28-18)16-7-6-10-29-16/h6-7,10-12,21H,3-5,8-9H2,1-2H3,(H,24,25)