4-[[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-7-ethyl-chromen-2-one

Systemtic Name: 4-[[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-7-ethyl-chromen-2-one Openeye Name: 4-[[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]methyl]-7-ethyl-chromen-2-one CAS Name: 4-[[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-7-ethylchromen-2-one Traditional Name: 4-[[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]methyl]-7-ethyl-coumarin Formula: C20H21BrN2O4S2 MolecularWeight: 497.42574

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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(S4)Br

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C20H21BrN2O4S2/c1-2-14-3-4-16-15(12-19(24)27-17(16)11-14)13-22-7-9-23(10-8-22)29(25,26)20-6-5-18(21)28-20/h3-6,11-12H,2,7-10,13H2,1H3