[(3aS,8bR)-3-methyl-8b-(3-methylbut-2-enyl)-4-(phenylsulfonyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-ium-3-yl]-cyano-boranide

Systemtic Name: [(3aS,8bR)-3-methyl-8b-(3-methylbut-2-enyl)-4-(phenylsulfonyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-ium-3-yl]-cyano-boranide Openeye Name: [(3aS,8bR)-4-(benzenesulfonyl)-3-methyl-8b-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-ium-3-yl]-cyano-boranide CAS Name: [(3aS,8bR)-4-(benzenesulfonyl)-3-methyl-8b-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-ium-3-yl]-cyanoboranide IUPAC Name: [(3aS,8bR)-4-(benzenesulfonyl)-3-methyl-8b-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-ium-3-yl]-cyanoboranide Traditional Name: [(3aS,8bR)-4-besyl-3-methyl-8b-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrol[2,3-b]indol-3-ium-3-yl]-cyano-boranide Formula: C23H26BN3O2S MolecularWeight: 419.34744

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C#N)[N+]1(CCC2(C1N(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)CC=C(C)C)C

Isomeric SMILES

[B-](C#N)[N+]1(CC[C@]2([C@@H]1N(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)CC=C(C)C)C

InChI

InChI=1S/C23H26BN3O2S/c1-18(2)13-14-23-15-16-27(3,24-17-25)22(23)26(21-12-8-7-11-20(21)23)30(28,29)19-9-5-4-6-10-19/h4-13,22H,14-16H2,1-3H3/t22-,23-,27?/m1/s1