4-methylsulfonyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 4-methylsulfonyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 4-methylsulfonyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 4-methylsulfonyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 4-methylsulfonyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 4-mesyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide Formula: C18H25N3O3S2 MolecularWeight: 395.5394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCCCCCCCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C18H25N3O3S2/c1-3-4-5-6-7-8-9-16-20-21-18(25-16)19-17(22)14-10-12-15(13-11-14)26(2,23)24/h10-13H,3-9H2,1-2H3,(H,19,21,22)