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

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C24H25NO6S MolecularWeight: 455.5234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H25NO6S/c1-17-6-11-21-19(15-23(26)31-22(21)14-17)16-30-24(27)18-7-9-20(10-8-18)32(28,29)25-12-4-2-3-5-13-25/h6-11,14-15H,2-5,12-13,16H2,1H3