2-(2-bromanyl-4-methyl-phenoxy)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 2-(2-bromanyl-4-methyl-phenoxy)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 2-(2-bromo-4-methyl-phenoxy)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 2-(2-bromo-4-methylphenoxy)-1-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 2-(2-bromo-4-methylphenoxy)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 2-(2-bromo-4-methyl-phenoxy)-1-[4-(3-fluorophenyl)sulfonylpiperazino]propan-1-one Formula: C20H22BrFN2O4S MolecularWeight: 485.367083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OC(C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F)Br

InChI

InChI=1S/C20H22BrFN2O4S/c1-14-6-7-19(18(21)12-14)28-15(2)20(25)23-8-10-24(11-9-23)29(26,27)17-5-3-4-16(22)13-17/h3-7,12-13,15H,8-11H2,1-2H3