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

Systemtic Name: 3-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentylsulfamoyl]benzoic acid Openeye Name: 3-[5-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]pentylsulfamoyl]benzoic acid CAS Name: 3-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentylsulfamoyl]benzoic acid IUPAC Name: 3-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentylsulfamoyl]benzoic acid Traditional Name: 3-[5-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]pentylsulfamoyl]benzoic acid Formula: C18H19N3O5S2 MolecularWeight: 421.49056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5S2/c22-18(23)13-6-4-7-14(12-13)28(24,25)19-10-3-1-2-9-16-20-17(21-26-16)15-8-5-11-27-15/h4-8,11-12,19H,1-3,9-10H2,(H,22,23)