3-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-N-(3-sulfamoylphenyl)benzenesulfonamide

Systemtic Name: 3-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-N-(3-sulfamoylphenyl)benzenesulfonamide Openeye Name: 3-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-N-(3-sulfamoylphenyl)benzenesulfonamide CAS Name: 3-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-N-(3-sulfamoylphenyl)benzenesulfonamide IUPAC Name: 3-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-N-(3-sulfamoylphenyl)benzenesulfonamide Traditional Name: 3-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-N-(3-sulfamoylphenyl)benzenesulfonamide Formula: C21H25N5O4S3 MolecularWeight: 507.6493

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2CCCCC2)SC(=N1)C3=CC(=CC=C3)S(=O)(=O)NC4=CC(=CC=C4)S(=O)(=O)N

Isomeric SMILES

CN1C(=NC2CCCCC2)SC(=N1)C3=CC(=CC=C3)S(=O)(=O)NC4=CC(=CC=C4)S(=O)(=O)N

InChI

InChI=1S/C21H25N5O4S3/c1-26-21(23-16-8-3-2-4-9-16)31-20(24-26)15-7-5-12-19(13-15)33(29,30)25-17-10-6-11-18(14-17)32(22,27)28/h5-7,10-14,16,25H,2-4,8-9H2,1H3,(H2,22,27,28)