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

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 3-piperidin-1-ylsulfonylbenzoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C26H29NO6S MolecularWeight: 483.57656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)C(C)C

InChI

InChI=1S/C26H29NO6S/c1-17(2)22-15-23-20(14-25(28)33-24(23)12-18(22)3)16-32-26(29)19-8-7-9-21(13-19)34(30,31)27-10-5-4-6-11-27/h7-9,12-15,17H,4-6,10-11,16H2,1-3H3