diethyl 2-[(2S,3R)-3-nitro-1-(phenylsulfonyl)-2,3-dihydroindol-2-yl]propanedioate

Systemtic Name: diethyl 2-[(2S,3R)-3-nitro-1-(phenylsulfonyl)-2,3-dihydroindol-2-yl]propanedioate Openeye Name: diethyl 2-[(2S,3R)-1-(benzenesulfonyl)-3-nitro-indolin-2-yl]propanedioate CAS Name: 2-[(2S,3R)-1-(benzenesulfonyl)-3-nitro-2,3-dihydroindol-2-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(2S,3R)-1-(benzenesulfonyl)-3-nitro-2,3-dihydroindol-2-yl]propanedioate Traditional Name: 2-[(2S,3R)-1-besyl-3-nitro-indolin-2-yl]malonic acid diethyl ester Formula: C21H22N2O8S MolecularWeight: 462.47298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1C(C2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C([C@H]1[C@@H](C2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C21H22N2O8S/c1-3-30-20(24)17(21(25)31-4-2)19-18(23(26)27)15-12-8-9-13-16(15)22(19)32(28,29)14-10-6-5-7-11-14/h5-13,17-19H,3-4H2,1-2H3/t18-,19+/m1/s1