N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)octanamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)octanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)octanamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)octanamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)octanamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)caprylamide Formula: C16H22N2O3S2 MolecularWeight: 354.48748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCCCCCCC(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C16H22N2O3S2/c1-3-4-5-6-7-8-15(19)18-16-17-13-10-9-12(23(2,20)21)11-14(13)22-16/h9-11H,3-8H2,1-2H3,(H,17,18,19)