O1-methyl O3-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(4-besylpiperazino)-2-keto-ethyl] ester O1-methyl ester Formula: C21H21N3O9S MolecularWeight: 491.47114

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O9S/c1-32-20(26)15-11-16(13-17(12-15)24(28)29)21(27)33-14-19(25)22-7-9-23(10-8-22)34(30,31)18-5-3-2-4-6-18/h2-6,11-13H,7-10,14H2,1H3