(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-bromanyl-5-(4-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-bromanyl-5-(4-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 3-bromo-5-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-bromo-5-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 3-bromo-5-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-bromo-5-(4-methylpiperidino)sulfonyl-benzoic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C23H22BrNO7S MolecularWeight: 536.39228

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)O)Br

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)O)Br

InChI

InChI=1S/C23H22BrNO7S/c1-14-4-6-25(7-5-14)33(29,30)19-9-15(8-17(24)11-19)23(28)31-13-16-10-22(27)32-21-12-18(26)2-3-20(16)21/h2-3,8-12,14,26H,4-7,13H2,1H3