4-[[4-[2,6-bis(chloranyl)phenyl]sulfonylpiperazin-1-yl]methyl]-7-methoxy-chromen-2-one

Systemtic Name: 4-[[4-[2,6-bis(chloranyl)phenyl]sulfonylpiperazin-1-yl]methyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-7-methoxy-chromen-2-one CAS Name: 4-[[4-(2,6-dichlorophenyl)sulfonyl-1-piperazinyl]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-7-methoxychromen-2-one Traditional Name: 4-[[4-(2,6-dichlorophenyl)sulfonylpiperazino]methyl]-7-methoxy-coumarin Formula: C21H20Cl2N2O5S MolecularWeight: 483.3649

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=C(C=CC=C4Cl)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=C(C=CC=C4Cl)Cl

InChI

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