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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C22H21NO7S MolecularWeight: 443.46964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H21NO7S/c1-28-17-7-8-19-16(12-21(24)30-20(19)13-17)14-29-22(25)15-5-4-6-18(11-15)31(26,27)23-9-2-3-10-23/h4-8,11-13H,2-3,9-10,14H2,1H3