(4-nitrophenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: (4-nitrophenyl)methyl 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid (4-nitrobenzyl) ester Formula: C17H18N2O6S2 MolecularWeight: 410.46462

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H18N2O6S2/c20-17(25-12-13-3-5-15(6-4-13)19(21)22)14-7-9-18(10-8-14)27(23,24)16-2-1-11-26-16/h1-6,11,14H,7-10,12H2