(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C24H25NO7S MolecularWeight: 471.5228

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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)N4CCCCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H25NO7S/c1-30-19-9-10-21-18(14-23(26)32-22(21)15-19)16-31-24(27)17-7-6-8-20(13-17)33(28,29)25-11-4-2-3-5-12-25/h6-10,13-15H,2-5,11-12,16H2,1H3