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

Systemtic Name: 4-[[4-[2,5-bis(chloranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-7-ethyl-chromen-2-one Openeye Name: 4-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-ethyl-chromen-2-one CAS Name: 4-[[4-(2,5-dichlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-ethylchromen-2-one Traditional Name: 4-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-ethyl-coumarin Formula: C22H23Cl2N2O4S+ MolecularWeight: 482.40002

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)Cl)Cl

Isomeric SMILES

CCC1=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/C22H22Cl2N2O4S/c1-2-15-3-5-18-16(12-22(27)30-20(18)11-15)14-25-7-9-26(10-8-25)31(28,29)21-13-17(23)4-6-19(21)24/h3-6,11-13H,2,7-10,14H2,1H3/p+1