4-[[4-[2,5-bis(chloranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-7-methoxy-chromen-2-one

Systemtic Name: 4-[[4-[2,5-bis(chloranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methoxy-chromen-2-one CAS Name: 4-[[4-(2,5-dichlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methoxychromen-2-one Traditional Name: 4-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methoxy-coumarin Formula: C21H21Cl2N2O5S+ MolecularWeight: 484.37284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)Cl)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)Cl)Cl

InChI

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