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

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)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-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C25H27NO6S MolecularWeight: 469.54998

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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)N4CCCC4)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)C(C)C

InChI

InChI=1S/C25H27NO6S/c1-16(2)21-14-22-19(13-24(27)32-23(22)11-17(21)3)15-31-25(28)18-7-6-8-20(12-18)33(29,30)26-9-4-5-10-26/h6-8,11-14,16H,4-5,9-10,15H2,1-3H3