[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 3-(4-morpholinosulfonylphenyl)propanoate CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]propanoic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-morpholinosulfonylphenyl)propionic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C21H22N2O8S MolecularWeight: 462.47298

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O8S/c24-20(17-4-6-18(7-5-17)23(26)27)15-31-21(25)10-3-16-1-8-19(9-2-16)32(28,29)22-11-13-30-14-12-22/h1-2,4-9H,3,10-15H2