2,8-bis(piperidin-1-ylsulfonyl)benzotriazolo[2,1-a]benzotriazol-5-ium-6-ide

Systemtic Name: 2,8-bis(piperidin-1-ylsulfonyl)benzotriazolo[2,1-a]benzotriazol-5-ium-6-ide Openeye Name: 2,8-bis(1-piperidylsulfonyl)benzotriazolo[2,1-a]benzotriazol-5-ium-6-ide CAS Name: 2,8-bis(1-piperidinylsulfonyl)benzotriazolo[2,1-a]benzotriazol-5-ium-6-ide IUPAC Name: 2,8-bis(piperidin-1-ylsulfonyl)benzotriazolo[2,1-a]benzotriazol-5-ium-6-ide Traditional Name: 2,8-bis(piperidinosulfonyl)benzotriazolo[2,1-a]benzotriazol-5-ium-6-ide Formula: C22H26N6O4S2 MolecularWeight: 502.60964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N4N=C5C=C(C=CC5=[N+]4[N-]3)S(=O)(=O)N6CCCCC6

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N4N=C5C=C(C=CC5=[N+]4[N-]3)S(=O)(=O)N6CCCCC6

InChI

InChI=1S/C22H26N6O4S2/c29-33(30,25-11-3-1-4-12-25)17-7-9-21-19(15-17)23-28-22-10-8-18(16-20(22)24-27(21)28)34(31,32)26-13-5-2-6-14-26/h7-10,15-16H,1-6,11-14H2