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

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (4-methyl-2-oxo-chromen-7-yl) 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxochromen-7-yl) 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid (2-keto-4-methyl-chromen-7-yl) ester Formula: C21H19NO6S MolecularWeight: 413.44366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H19NO6S/c1-14-12-20(23)28-19-13-16(6-9-18(14)19)27-21(24)15-4-7-17(8-5-15)29(25,26)22-10-2-3-11-22/h4-9,12-13H,2-3,10-11H2,1H3