2-[[1-(4-dibenzofuran-4-yl-2-nitro-phenyl)piperidin-4-yl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[1-(4-dibenzofuran-4-yl-2-nitro-phenyl)piperidin-4-yl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[1-(4-dibenzofuran-4-yl-2-nitro-phenyl)-4-piperidyl]methylsulfanyl]acetic acid CAS Name: 2-[[1-[4-(4-dibenzofuranyl)-2-nitrophenyl]-4-piperidinyl]methylthio]acetic acid IUPAC Name: 2-[[1-(4-dibenzofuran-4-yl-2-nitrophenyl)piperidin-4-yl]methylsulfanyl]acetic acid Traditional Name: 2-[[1-(4-dibenzofuran-4-yl-2-nitro-phenyl)-4-piperidyl]methylthio]acetic acid Formula: C26H24N2O5S MolecularWeight: 476.54416

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CSCC(=O)O)C2=C(C=C(C=C2)C3=CC=CC4=C3OC5=CC=CC=C45)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CSCC(=O)O)C2=C(C=C(C=C2)C3=CC=CC4=C3OC5=CC=CC=C45)[N+](=O)[O-]

InChI

InChI=1S/C26H24N2O5S/c29-25(30)16-34-15-17-10-12-27(13-11-17)22-9-8-18(14-23(22)28(31)32)19-5-3-6-21-20-4-1-2-7-24(20)33-26(19)21/h1-9,14,17H,10-13,15-16H2,(H,29,30)