[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C18H18N2O7S2 MolecularWeight: 438.47472

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H18N2O7S2/c21-16(14-3-1-4-15(11-14)20(23)24)12-27-18(22)13-6-8-19(9-7-13)29(25,26)17-5-2-10-28-17/h1-5,10-11,13H,6-9,12H2