N-[2-[(1R)-1-(1-ethanoylindol-3-yl)-2-nitro-ethyl]sulfanylethyl]-4-nitro-benzamide

Systemtic Name: N-[2-[(1R)-1-(1-ethanoylindol-3-yl)-2-nitro-ethyl]sulfanylethyl]-4-nitro-benzamide Openeye Name: N-[2-[(1R)-1-(1-acetylindol-3-yl)-2-nitro-ethyl]sulfanylethyl]-4-nitro-benzamide CAS Name: N-[2-[[(1R)-1-(1-acetyl-3-indolyl)-2-nitroethyl]thio]ethyl]-4-nitrobenzamide IUPAC Name: N-[2-[(1R)-1-(1-acetylindol-3-yl)-2-nitroethyl]sulfanylethyl]-4-nitrobenzamide Traditional Name: N-[2-[[(1R)-1-(1-acetylindol-3-yl)-2-nitro-ethyl]thio]ethyl]-4-nitro-benzamide Formula: C21H20N4O6S MolecularWeight: 456.4717

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(C2=CC=CC=C21)C(C[N+](=O)[O-])SCCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1C=C(C2=CC=CC=C21)[C@H](C[N+](=O)[O-])SCCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O6S/c1-14(26)23-12-18(17-4-2-3-5-19(17)23)20(13-24(28)29)32-11-10-22-21(27)15-6-8-16(9-7-15)25(30)31/h2-9,12,20H,10-11,13H2,1H3,(H,22,27)/t20-/m0/s1