4-(2-morpholin-4-ylsulfonylbenzotriazolo[2,1-a]benzotriazol-5-ium-6-id-8-yl)sulfonylmorpholine

Systemtic Name: 4-(2-morpholin-4-ylsulfonylbenzotriazolo[2,1-a]benzotriazol-5-ium-6-id-8-yl)sulfonylmorpholine Openeye Name: 4-(2-morpholinosulfonylbenzotriazolo[2,1-a]benzotriazol-5-ium-6-id-8-yl)sulfonylmorpholine CAS Name: 4-[[2-(4-morpholinylsulfonyl)-8-benzotriazolo[2,1-a]benzotriazol-5-ium-6-idyl]sulfonyl]morpholine IUPAC Name: 4-(2-morpholin-4-ylsulfonylbenzotriazolo[2,1-a]benzotriazol-5-ium-6-id-8-yl)sulfonylmorpholine Traditional Name: 4-(2-morpholinosulfonylbenzotriazolo[2,1-a]benzotriazol-5-ium-6-id-8-yl)sulfonylmorpholine Formula: C20H22N6O6S2 MolecularWeight: 506.55528

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N4N=C5C=C(C=CC5=[N+]4[N-]3)S(=O)(=O)N6CCOCC6

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N4N=C5C=C(C=CC5=[N+]4[N-]3)S(=O)(=O)N6CCOCC6

InChI

InChI=1S/C20H22N6O6S2/c27-33(28,23-5-9-31-10-6-23)15-1-3-19-17(13-15)21-26-20-4-2-16(14-18(20)22-25(19)26)34(29,30)24-7-11-32-12-8-24/h1-4,13-14H,5-12H2