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

Systemtic Name: N,N'-bis(6-methylsulfonyl-1,3-benzothiazol-2-yl)hexanediamide Openeye Name: N,N'-bis(6-methylsulfonyl-1,3-benzothiazol-2-yl)hexanediamide CAS Name: N,N'-bis(6-methylsulfonyl-1,3-benzothiazol-2-yl)hexanediamide IUPAC Name: N,N'-bis(6-methylsulfonyl-1,3-benzothiazol-2-yl)hexanediamide Traditional Name: N,N'-bis(6-mesyl-1,3-benzothiazol-2-yl)adipamide Formula: C22H22N4O6S4 MolecularWeight: 566.69328

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H22N4O6S4/c1-35(29,30)13-7-9-15-17(11-13)33-21(23-15)25-19(27)5-3-4-6-20(28)26-22-24-16-10-8-14(36(2,31)32)12-18(16)34-22/h7-12H,3-6H2,1-2H3,(H,23,25,27)(H,24,26,28)