(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C25H27NO6S MolecularWeight: 469.54998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4)C

InChI

InChI=1S/C25H27NO6S/c1-17-10-11-22-20(15-23(27)32-24(22)18(17)2)16-31-25(28)19-8-7-9-21(14-19)33(29,30)26-12-5-3-4-6-13-26/h7-11,14-15H,3-6,12-13,16H2,1-2H3