N,N'-bis(6-methylsulfonyl-1,3-benzothiazol-2-yl)pentanediamide

Systemtic Name: N,N'-bis(6-methylsulfonyl-1,3-benzothiazol-2-yl)pentanediamide Openeye Name: N,N'-bis(6-methylsulfonyl-1,3-benzothiazol-2-yl)pentanediamide CAS Name: N,N'-bis(6-methylsulfonyl-1,3-benzothiazol-2-yl)pentanediamide IUPAC Name: N,N'-bis(6-methylsulfonyl-1,3-benzothiazol-2-yl)pentanediamide Traditional Name: N,N'-bis(6-mesyl-1,3-benzothiazol-2-yl)glutaramide Formula: C21H20N4O6S4 MolecularWeight: 552.6667

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCC(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCC(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C21H20N4O6S4/c1-34(28,29)12-6-8-14-16(10-12)32-20(22-14)24-18(26)4-3-5-19(27)25-21-23-15-9-7-13(35(2,30)31)11-17(15)33-21/h6-11H,3-5H2,1-2H3,(H,22,24,26)(H,23,25,27)