6-chloranyl-4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one

Systemtic Name: 6-chloranyl-4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methyl-coumarin Formula: C21H21Cl2N2O4S+ MolecularWeight: 468.37344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H20Cl2N2O4S/c1-14-10-20-18(12-19(14)23)15(11-21(26)29-20)13-24-6-8-25(9-7-24)30(27,28)17-4-2-16(22)3-5-17/h2-5,10-12H,6-9,13H2,1H3/p+1