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

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C23H23NO6S MolecularWeight: 441.49682

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H23NO6S/c1-2-16-8-9-20-18(14-22(25)30-21(20)12-16)15-29-23(26)17-6-5-7-19(13-17)31(27,28)24-10-3-4-11-24/h5-9,12-14H,2-4,10-11,15H2,1H3