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

Systemtic Name: N,N'-bis(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanediamide Openeye Name: N,N'-bis(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanediamide CAS Name: N,N'-bis(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanediamide IUPAC Name: N,N'-bis(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanediamide Traditional Name: N,N'-bis(6-mesyl-1,3-benzothiazol-2-yl)succinamide Formula: C20H18N4O6S4 MolecularWeight: 538.64012

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H18N4O6S4/c1-33(27,28)11-3-5-13-15(9-11)31-19(21-13)23-17(25)7-8-18(26)24-20-22-14-6-4-12(34(2,29)30)10-16(14)32-20/h3-6,9-10H,7-8H2,1-2H3,(H,21,23,25)(H,22,24,26)