(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C24H24ClNO6S MolecularWeight: 489.96846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCC4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C24H24ClNO6S/c1-15-6-8-19-18(13-22(27)32-23(19)16(15)2)14-31-24(28)17-7-9-20(25)21(12-17)33(29,30)26-10-4-3-5-11-26/h6-9,12-13H,3-5,10-11,14H2,1-2H3