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

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (4-methyl-2-oxo-chromen-7-yl) 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxochromen-7-yl) 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (2-keto-4-methyl-chromen-7-yl) ester Formula: C23H23NO6S MolecularWeight: 441.49682

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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)N4CCCCCC4

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H23NO6S/c1-16-14-22(25)30-21-15-18(8-11-20(16)21)29-23(26)17-6-9-19(10-7-17)31(27,28)24-12-4-2-3-5-13-24/h6-11,14-15H,2-5,12-13H2,1H3