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

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (6-isopropyl-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-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C27H31NO6S MolecularWeight: 497.60314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C27H31NO6S/c1-17(2)22-15-23-21(14-26(29)34-24(23)12-19(22)4)16-33-27(30)20-9-8-18(3)25(13-20)35(31,32)28-10-6-5-7-11-28/h8-9,12-15,17H,5-7,10-11,16H2,1-4H3