4-[[4-[2,5-bis(bromanyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-[2,5-bis(bromanyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[4-(2,5-dibromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[4-(2,5-dibromophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(2,5-dibromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[4-(2,5-dibromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6,7-dimethyl-coumarin Formula: C22H23Br2N2O4S+ MolecularWeight: 571.30202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)Br)Br)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)Br)Br)C

InChI

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