(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-3-piperidinecarboxylic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonylnipecotic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C24H24ClNO6S MolecularWeight: 489.96846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C24H24ClNO6S/c1-15-10-21-18(12-23(27)32-22(21)11-16(15)2)14-31-24(28)17-4-3-9-26(13-17)33(29,30)20-7-5-19(25)6-8-20/h5-8,10-12,17H,3-4,9,13-14H2,1-2H3