diethyl 2-[(1R)-1-[1-(4-methylphenyl)sulfonylindol-3-yl]-2-nitro-ethyl]propanedioate

Systemtic Name: diethyl 2-[(1R)-1-[1-(4-methylphenyl)sulfonylindol-3-yl]-2-nitro-ethyl]propanedioate Openeye Name: diethyl 2-[(1R)-2-nitro-1-[1-(p-tolylsulfonyl)indol-3-yl]ethyl]propanedioate CAS Name: 2-[(1R)-1-[1-(4-methylphenyl)sulfonyl-3-indolyl]-2-nitroethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(1R)-1-[1-(4-methylphenyl)sulfonylindol-3-yl]-2-nitroethyl]propanedioate Traditional Name: 2-[(1R)-2-nitro-1-(1-tosylindol-3-yl)ethyl]malonic acid diethyl ester Formula: C24H26N2O8S MolecularWeight: 502.53684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C[N+](=O)[O-])C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C([C@@H](C[N+](=O)[O-])C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)OCC

InChI

InChI=1S/C24H26N2O8S/c1-4-33-23(27)22(24(28)34-5-2)20(15-26(29)30)19-14-25(21-9-7-6-8-18(19)21)35(31,32)17-12-10-16(3)11-13-17/h6-14,20,22H,4-5,15H2,1-3H3/t20-/m0/s1