4-[[4-[2,3-bis(chloranyl)phenyl]sulfonylpiperazin-1-yl]methyl]-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[4-[2,3-bis(chloranyl)phenyl]sulfonylpiperazin-1-yl]methyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[[4-(2,3-dichlorophenyl)sulfonyl-1-piperazinyl]methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[[4-(2,3-dichlorophenyl)sulfonylpiperazino]methyl]-7-hydroxy-8-methyl-coumarin Formula: C21H20Cl2N2O5S MolecularWeight: 483.3649

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CN3CCN(CC3)S(=O)(=O)C4=C(C(=CC=C4)Cl)Cl)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CN3CCN(CC3)S(=O)(=O)C4=C(C(=CC=C4)Cl)Cl)O

InChI

InChI=1S/C21H20Cl2N2O5S/c1-13-17(26)6-5-15-14(11-19(27)30-21(13)15)12-24-7-9-25(10-8-24)31(28,29)18-4-2-3-16(22)20(18)23/h2-6,11,26H,7-10,12H2,1H3