(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 1-(2-chloro-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 1-(2-chloro-5-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-chloro-5-nitro-phenyl)sulfonylisonipecotic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C24H23ClN2O8S MolecularWeight: 534.96602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C24H23ClN2O8S/c1-14-9-19-17(11-23(28)35-21(19)10-15(14)2)13-34-24(29)16-5-7-26(8-6-16)36(32,33)22-12-18(27(30)31)3-4-20(22)25/h3-4,9-12,16H,5-8,13H2,1-2H3