2-[(2S)-1-(4-bromanyl-3-methyl-phenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole

Systemtic Name: 2-[(2S)-1-(4-bromanyl-3-methyl-phenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole Openeye Name: 2-[(2S)-1-(4-bromo-3-methyl-phenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole CAS Name: 2-[(2S)-1-(4-bromo-3-methylphenyl)sulfonyl-2-pyrrolidinyl]-1H-benzimidazole IUPAC Name: 2-[(2S)-1-(4-bromo-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole Traditional Name: 2-[(2S)-1-(4-bromo-3-methyl-phenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole Formula: C18H18BrN3O2S MolecularWeight: 420.32342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2C3=NC4=CC=CC=C4N3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4N3)Br

InChI

InChI=1S/C18H18BrN3O2S/c1-12-11-13(8-9-14(12)19)25(23,24)22-10-4-7-17(22)18-20-15-5-2-3-6-16(15)21-18/h2-3,5-6,8-9,11,17H,4,7,10H2,1H3,(H,20,21)/t17-/m0/s1