(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 1-(2-chloro-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 1-(2-chloro-5-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-chloro-5-nitro-phenyl)sulfonylisonipecotic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C26H21ClN2O8S MolecularWeight: 556.97154

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)S(=O)(=O)C5=C(C=CC(=C5)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)S(=O)(=O)C5=C(C=CC(=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C26H21ClN2O8S/c27-21-7-6-19(29(32)33)14-23(21)38(34,35)28-11-9-17(10-12-28)26(31)36-15-18-13-24(30)37-22-8-5-16-3-1-2-4-20(16)25(18)22/h1-8,13-14,17H,9-12,15H2