(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-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=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)C

Isomeric SMILES

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

InChI

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