2-(2-bromanyl-4,5-dimethoxy-phenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-(2-bromanyl-4,5-dimethoxy-phenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-(2-bromo-4,5-dimethoxy-phenyl)-1-[4-(2-thienylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-(2-bromo-4,5-dimethoxyphenyl)-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-(2-bromo-4,5-dimethoxyphenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-(2-bromo-4,5-dimethoxy-phenyl)-1-[4-(2-thienylsulfonyl)piperazino]ethanone Formula: C18H21BrN2O5S2 MolecularWeight: 489.40374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3)Br)OC

InChI

InChI=1S/C18H21BrN2O5S2/c1-25-15-10-13(14(19)12-16(15)26-2)11-17(22)20-5-7-21(8-6-20)28(23,24)18-4-3-9-27-18/h3-4,9-10,12H,5-8,11H2,1-2H3