(3-nitrophenyl)methyl 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoate

Systemtic Name: (3-nitrophenyl)methyl 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoate Openeye Name: (3-nitrophenyl)methyl 2-[5-(1-piperidylsulfonyl)-2-thienyl]acetate CAS Name: 2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]acetic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate Traditional Name: 2-(5-piperidinosulfonyl-2-thienyl)acetic acid (3-nitrobenzyl) ester Formula: C18H20N2O6S2 MolecularWeight: 424.4912

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)CC(=O)OCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)CC(=O)OCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O6S2/c21-17(26-13-14-5-4-6-15(11-14)20(22)23)12-16-7-8-18(27-16)28(24,25)19-9-2-1-3-10-19/h4-8,11H,1-3,9-10,12-13H2