2-[(3S)-1-(phenylsulfonyl)pyrrolidin-3-yl]-6-(trifluoromethyl)-1H-benzimidazole

Systemtic Name: 2-[(3S)-1-(phenylsulfonyl)pyrrolidin-3-yl]-6-(trifluoromethyl)-1H-benzimidazole Openeye Name: 2-[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]-6-(trifluoromethyl)-1H-benzimidazole CAS Name: 2-[(3S)-1-(benzenesulfonyl)-3-pyrrolidinyl]-6-(trifluoromethyl)-1H-benzimidazole IUPAC Name: 2-[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]-6-(trifluoromethyl)-1H-benzimidazole Traditional Name: 2-[(3S)-1-besylpyrrolidin-3-yl]-6-(trifluoromethyl)-1H-benzimidazole Formula: C18H16F3N3O2S MolecularWeight: 395.39875

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1C2=NC3=C(N2)C=C(C=C3)C(F)(F)F)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(C[C@H]1C2=NC3=C(N2)C=C(C=C3)C(F)(F)F)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H16F3N3O2S/c19-18(20,21)13-6-7-15-16(10-13)23-17(22-15)12-8-9-24(11-12)27(25,26)14-4-2-1-3-5-14/h1-7,10,12H,8-9,11H2,(H,22,23)/t12-/m0/s1