1-(5-bromanylthiophen-2-yl)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 1-(5-bromanylthiophen-2-yl)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 1-(5-bromo-2-thienyl)-3-[4-(p-tolylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 1-(5-bromo-2-thiophenyl)-3-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 1-(5-bromothiophen-2-yl)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 1-(5-bromo-2-thienyl)-3-(4-tosylpiperazino)propan-1-one Formula: C18H21BrN2O3S2 MolecularWeight: 457.40494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C18H21BrN2O3S2/c1-14-2-4-15(5-3-14)26(23,24)21-12-10-20(11-13-21)9-8-16(22)17-6-7-18(19)25-17/h2-7H,8-13H2,1H3