(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-piperidin-1-ylsulfonylbenzoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C24H25NO6S MolecularWeight: 455.5234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C24H25NO6S/c1-16-11-21-19(14-23(26)31-22(21)12-17(16)2)15-30-24(27)18-7-6-8-20(13-18)32(28,29)25-9-4-3-5-10-25/h6-8,11-14H,3-5,9-10,15H2,1-2H3