2-[(2S)-1-(5-bromanyl-2-methoxy-phenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole

Systemtic Name: 2-[(2S)-1-(5-bromanyl-2-methoxy-phenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole Openeye Name: 2-[(2S)-1-(5-bromo-2-methoxy-phenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole CAS Name: 2-[(2S)-1-(5-bromo-2-methoxyphenyl)sulfonyl-2-pyrrolidinyl]-1H-benzimidazole IUPAC Name: 2-[(2S)-1-(5-bromo-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole Traditional Name: 2-[(2S)-1-(5-bromo-2-methoxy-phenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole Formula: C18H18BrN3O3S MolecularWeight: 436.32282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCCC2C3=NC4=CC=CC=C4N3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H18BrN3O3S/c1-25-16-9-8-12(19)11-17(16)26(23,24)22-10-4-7-15(22)18-20-13-5-2-3-6-14(13)21-18/h2-3,5-6,8-9,11,15H,4,7,10H2,1H3,(H,20,21)/t15-/m0/s1