(2-nitrophenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: (2-nitrophenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: (2-nitrophenyl)methyl 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid (2-nitrobenzyl) ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O6S/c24-21(29-16-18-6-2-3-7-20(18)23(25)26)13-10-17-8-11-19(12-9-17)30(27,28)22-14-4-1-5-15-22/h2-3,6-9,11-12H,1,4-5,10,13-16H2