1,1,1-tris(fluoranyl)-2-[6-nitro-1-(phenylmethyl)indol-3-yl]-3-[4-(phenylsulfonyl)piperidin-1-yl]propan-2-ol

Systemtic Name: 1,1,1-tris(fluoranyl)-2-[6-nitro-1-(phenylmethyl)indol-3-yl]-3-[4-(phenylsulfonyl)piperidin-1-yl]propan-2-ol Openeye Name: 3-[4-(benzenesulfonyl)-1-piperidyl]-2-(1-benzyl-6-nitro-indol-3-yl)-1,1,1-trifluoro-propan-2-ol CAS Name: 3-[4-(benzenesulfonyl)-1-piperidinyl]-1,1,1-trifluoro-2-[6-nitro-1-(phenylmethyl)-3-indolyl]-2-propanol IUPAC Name: 3-[4-(benzenesulfonyl)piperidin-1-yl]-2-(1-benzyl-6-nitroindol-3-yl)-1,1,1-trifluoropropan-2-ol Traditional Name: 2-(1-benzyl-6-nitro-indol-3-yl)-3-(4-besylpiperidino)-1,1,1-trifluoro-propan-2-ol Formula: C29H28F3N3O5S MolecularWeight: 587.60993

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1S(=O)(=O)C2=CC=CC=C2)CC(C3=CN(C4=C3C=CC(=C4)[N+](=O)[O-])CC5=CC=CC=C5)(C(F)(F)F)O

Isomeric SMILES

C1CN(CCC1S(=O)(=O)C2=CC=CC=C2)CC(C3=CN(C4=C3C=CC(=C4)[N+](=O)[O-])CC5=CC=CC=C5)(C(F)(F)F)O

InChI

InChI=1S/C29H28F3N3O5S/c30-29(31,32)28(36,20-33-15-13-24(14-16-33)41(39,40)23-9-5-2-6-10-23)26-19-34(18-21-7-3-1-4-8-21)27-17-22(35(37)38)11-12-25(26)27/h1-12,17,19,24,36H,13-16,18,20H2