2-[3-[(4-bromophenyl)methyl]-4,7-dimethyl-2-oxidanylidene-chromen-5-yl]oxy-N-methylsulfonyl-ethanamide

Systemtic Name: 2-[3-[(4-bromophenyl)methyl]-4,7-dimethyl-2-oxidanylidene-chromen-5-yl]oxy-N-methylsulfonyl-ethanamide Openeye Name: 2-[3-[(4-bromophenyl)methyl]-4,7-dimethyl-2-oxo-chromen-5-yl]oxy-N-methylsulfonyl-acetamide CAS Name: 2-[[3-[(4-bromophenyl)methyl]-4,7-dimethyl-2-oxo-1-benzopyran-5-yl]oxy]-N-methylsulfonylacetamide IUPAC Name: 2-[3-[(4-bromophenyl)methyl]-4,7-dimethyl-2-oxochromen-5-yl]oxy-N-methylsulfonylacetamide Traditional Name: 2-[3-(4-bromobenzyl)-2-keto-4,7-dimethyl-chromen-5-yl]oxy-N-mesyl-acetamide Formula: C21H20BrNO6S MolecularWeight: 494.3556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=C(C=C3)Br)C)C(=C1)OCC(=O)NS(=O)(=O)C

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=C(C=C3)Br)C)C(=C1)OCC(=O)NS(=O)(=O)C

InChI

InChI=1S/C21H20BrNO6S/c1-12-8-17(28-11-19(24)23-30(3,26)27)20-13(2)16(21(25)29-18(20)9-12)10-14-4-6-15(22)7-5-14/h4-9H,10-11H2,1-3H3,(H,23,24)