[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-keto-2-(4-piperidinosulfonylphenyl)ethyl] ester Formula: C21H22N2O9S2 MolecularWeight: 510.53738

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O9S2/c1-33(28,29)20-10-7-16(13-18(20)23(26)27)21(25)32-14-19(24)15-5-8-17(9-6-15)34(30,31)22-11-3-2-4-12-22/h5-10,13H,2-4,11-12,14H2,1H3