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

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C23H22ClNO7S MolecularWeight: 491.94128

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)O)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)O)Cl

InChI

InChI=1S/C23H22ClNO7S/c24-19-8-5-15(11-21(19)33(29,30)25-9-3-1-2-4-10-25)23(28)31-14-16-12-22(27)32-20-13-17(26)6-7-18(16)20/h5-8,11-13,26H,1-4,9-10,14H2