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

Systemtic Name: 4-[[4-[2,5-bis(bromanyl)phenyl]sulfonylpiperazin-1-yl]methyl]-7-methyl-chromen-2-one Openeye Name: 4-[[4-(2,5-dibromophenyl)sulfonylpiperazin-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 4-[[4-(2,5-dibromophenyl)sulfonyl-1-piperazinyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(2,5-dibromophenyl)sulfonylpiperazin-1-yl]methyl]-7-methylchromen-2-one Traditional Name: 4-[[4-(2,5-dibromophenyl)sulfonylpiperazino]methyl]-7-methyl-coumarin Formula: C21H20Br2N2O4S MolecularWeight: 556.2675

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)Br)Br

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)Br)Br

InChI

InChI=1S/C21H20Br2N2O4S/c1-14-2-4-17-15(11-21(26)29-19(17)10-14)13-24-6-8-25(9-7-24)30(27,28)20-12-16(22)3-5-18(20)23/h2-5,10-12H,6-9,13H2,1H3