(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)C)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)C)S(=O)(=O)N4CCCCC4

InChI

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