(1S,2R,3R,4R)-4-ethanoyl-1-methyl-3-[1-(4-methylphenyl)sulfonylindol-3-yl]-2-nitro-cyclohexane-1-carbaldehyde

Systemtic Name: (1S,2R,3R,4R)-4-ethanoyl-1-methyl-3-[1-(4-methylphenyl)sulfonylindol-3-yl]-2-nitro-cyclohexane-1-carbaldehyde Openeye Name: (1S,2R,3R,4R)-4-acetyl-1-methyl-2-nitro-3-[1-(p-tolylsulfonyl)indol-3-yl]cyclohexanecarbaldehyde CAS Name: (1S,2R,3R,4R)-4-acetyl-1-methyl-3-[1-(4-methylphenyl)sulfonyl-3-indolyl]-2-nitro-1-cyclohexanecarboxaldehyde IUPAC Name: (1S,2R,3R,4R)-4-acetyl-1-methyl-3-[1-(4-methylphenyl)sulfonylindol-3-yl]-2-nitrocyclohexane-1-carbaldehyde Traditional Name: (1S,2R,3R,4R)-4-acetyl-1-methyl-2-nitro-3-(1-tosylindol-3-yl)cyclohexanecarbaldehyde Formula: C25H26N2O6S MolecularWeight: 482.54874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C4C(CCC(C4[N+](=O)[O-])(C)C=O)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)[C@H]4[C@@H](CC[C@]([C@@H]4[N+](=O)[O-])(C)C=O)C(=O)C

InChI

InChI=1S/C25H26N2O6S/c1-16-8-10-18(11-9-16)34(32,33)26-14-21(20-6-4-5-7-22(20)26)23-19(17(2)29)12-13-25(3,15-28)24(23)27(30)31/h4-11,14-15,19,23-24H,12-13H2,1-3H3/t19-,23+,24+,25+/m0/s1