2-(6-phenyl-1H-benzimidazol-2-yl)-6-propan-2-ylsulfonyl-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepine

Systemtic Name: 2-(6-phenyl-1H-benzimidazol-2-yl)-6-propan-2-ylsulfonyl-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepine Openeye Name: 6-isopropylsulfonyl-2-(6-phenyl-1H-benzimidazol-2-yl)-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepine CAS Name: 2-(6-phenyl-1H-benzimidazol-2-yl)-6-propan-2-ylsulfonyl-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepine IUPAC Name: 2-(6-phenyl-1H-benzimidazol-2-yl)-6-propan-2-ylsulfonyl-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepine Traditional Name: 6-isopropylsulfonyl-2-(6-phenyl-1H-benzimidazol-2-yl)-1,3,3a,4,5,7,8,8a-octahydropyrrol[3,4-d]azepine Formula: C24H30N4O2S MolecularWeight: 438.5856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1CCC2CN(CC2CC1)C3=NC4=C(N3)C=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)S(=O)(=O)N1CCC2CN(CC2CC1)C3=NC4=C(N3)C=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C24H30N4O2S/c1-17(2)31(29,30)28-12-10-20-15-27(16-21(20)11-13-28)24-25-22-9-8-19(14-23(22)26-24)18-6-4-3-5-7-18/h3-9,14,17,20-21H,10-13,15-16H2,1-2H3,(H,25,26)