4-[[4-[2,5-bis(bromanyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-[2,5-bis(bromanyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[4-(2,5-dibromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[4-(2,5-dibromophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(2,5-dibromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[4-(2,5-dibromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7,8-dimethyl-coumarin Formula: C22H23Br2N2O4S+ MolecularWeight: 571.30202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)Br)Br)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)Br)Br)C

InChI

InChI=1S/C22H22Br2N2O4S/c1-14-3-5-18-16(11-21(27)30-22(18)15(14)2)13-25-7-9-26(10-8-25)31(28,29)20-12-17(23)4-6-19(20)24/h3-6,11-12H,7-10,13H2,1-2H3/p+1