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

Systemtic Name: 2,8-bis(pyrrolidin-1-ylsulfonyl)benzotriazolo[2,1-a]benzotriazol-5-ium-6-ide Openeye Name: 2,8-bis(pyrrolidin-1-ylsulfonyl)benzotriazolo[2,1-a]benzotriazol-5-ium-6-ide CAS Name: 2,8-bis(1-pyrrolidinylsulfonyl)benzotriazolo[2,1-a]benzotriazol-5-ium-6-ide IUPAC Name: 2,8-bis(pyrrolidin-1-ylsulfonyl)benzotriazolo[2,1-a]benzotriazol-5-ium-6-ide Traditional Name: 2,8-bis(pyrrolidinosulfonyl)benzotriazolo[2,1-a]benzotriazol-5-ium-6-ide Formula: C20H22N6O4S2 MolecularWeight: 474.55648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N4N=C5C=C(C=CC5=[N+]4[N-]3)S(=O)(=O)N6CCCC6

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N4N=C5C=C(C=CC5=[N+]4[N-]3)S(=O)(=O)N6CCCC6

InChI

InChI=1S/C20H22N6O4S2/c27-31(28,23-9-1-2-10-23)15-5-7-19-17(13-15)21-26-20-8-6-16(14-18(20)22-25(19)26)32(29,30)24-11-3-4-12-24/h5-8,13-14H,1-4,9-12H2