4-[6-(imidazo[1,2-d][1,2,4]thiadiazol-3-ylamino)hexylsulfamoyl]benzoic acid

Systemtic Name: 4-[6-(imidazo[1,2-d][1,2,4]thiadiazol-3-ylamino)hexylsulfamoyl]benzoic acid Openeye Name: 4-[6-(imidazo[1,2-d][1,2,4]thiadiazol-3-ylamino)hexylsulfamoyl]benzoic acid CAS Name: 4-[6-(3-imidazo[1,2-d][1,2,4]thiadiazolylamino)hexylsulfamoyl]benzoic acid IUPAC Name: 4-[6-(imidazo[1,2-d][1,2,4]thiadiazol-3-ylamino)hexylsulfamoyl]benzoic acid Traditional Name: 4-[6-(imidazo[1,2-d][1,2,4]thiadiazol-3-ylamino)hexylsulfamoyl]benzoic acid Formula: C17H21N5O4S2 MolecularWeight: 423.50974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)S(=O)(=O)NCCCCCCNC2=NSC3=NC=CN23

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)S(=O)(=O)NCCCCCCNC2=NSC3=NC=CN23

InChI

InChI=1S/C17H21N5O4S2/c23-15(24)13-5-7-14(8-6-13)28(25,26)20-10-4-2-1-3-9-18-16-21-27-17-19-11-12-22(16)17/h5-8,11-12,20H,1-4,9-10H2,(H,18,21)(H,23,24)