[2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(benzofuran-2-yl)-2-oxo-ethyl] 1-(2-chloro-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid [2-(2-benzofuranyl)-2-oxoethyl] ester IUPAC Name: [2-(1-benzofuran-2-yl)-2-oxoethyl] 1-(2-chloro-5-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-chloro-5-nitro-phenyl)sulfonylisonipecotic acid [2-(benzofuran-2-yl)-2-keto-ethyl] ester Formula: C22H19ClN2O8S MolecularWeight: 506.91286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)C2=CC3=CC=CC=C3O2)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)C2=CC3=CC=CC=C3O2)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H19ClN2O8S/c23-17-6-5-16(25(28)29)12-21(17)34(30,31)24-9-7-14(8-10-24)22(27)32-13-18(26)20-11-15-3-1-2-4-19(15)33-20/h1-6,11-12,14H,7-10,13H2