1-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2,4-dimethoxyphenyl)ethanone

Systemtic Name: 1-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2,4-dimethoxyphenyl)ethanone Openeye Name: 1-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]-2-(2,4-dimethoxyphenyl)ethanone CAS Name: 1-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-2-(2,4-dimethoxyphenyl)ethanone IUPAC Name: 1-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2,4-dimethoxyphenyl)ethanone Traditional Name: 1-[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]-2-(2,4-dimethoxyphenyl)ethanone Formula: C18H21BrN2O5S2 MolecularWeight: 489.40374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br)OC

InChI

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