4-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-7-ethyl-chromen-2-one

Systemtic Name: 4-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-7-ethyl-chromen-2-one Openeye Name: 4-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-7-ethyl-chromen-2-one CAS Name: 4-[[4-(4-bromophenyl)sulfonyl-1-piperazinyl]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-7-ethylchromen-2-one Traditional Name: 4-[(4-brosylpiperazino)methyl]-7-ethyl-coumarin Formula: C22H23BrN2O4S MolecularWeight: 491.39802

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H23BrN2O4S/c1-2-16-3-8-20-17(14-22(26)29-21(20)13-16)15-24-9-11-25(12-10-24)30(27,28)19-6-4-18(23)5-7-19/h3-8,13-14H,2,9-12,15H2,1H3