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

Systemtic Name: 4-methoxy-3-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentylsulfamoyl]benzoic acid Openeye Name: 4-methoxy-3-[5-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]pentylsulfamoyl]benzoic acid CAS Name: 4-methoxy-3-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentylsulfamoyl]benzoic acid IUPAC Name: 4-methoxy-3-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentylsulfamoyl]benzoic acid Traditional Name: 4-methoxy-3-[5-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]pentylsulfamoyl]benzoic acid Formula: C19H21N3O6S2 MolecularWeight: 451.51654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NCCCCCC2=NC(=NO2)C3=CC=CS3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NCCCCCC2=NC(=NO2)C3=CC=CS3

InChI

InChI=1S/C19H21N3O6S2/c1-27-14-9-8-13(19(23)24)12-16(14)30(25,26)20-10-4-2-3-7-17-21-18(22-28-17)15-6-5-11-29-15/h5-6,8-9,11-12,20H,2-4,7,10H2,1H3,(H,23,24)