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

Systemtic Name: 2-(2-bromanyl-4-methyl-phenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 2-(2-bromo-4-methyl-phenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 2-(2-bromo-4-methylphenoxy)-1-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 2-(2-bromo-4-methylphenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 2-(2-bromo-4-methyl-phenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazino]propan-1-one Formula: C21H25BrN2O5S MolecularWeight: 497.4026

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=C(C=C3)OC)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O5S/c1-15-4-9-20(19(22)14-15)29-16(2)21(25)23-10-12-24(13-11-23)30(26,27)18-7-5-17(28-3)6-8-18/h4-9,14,16H,10-13H2,1-3H3