1-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]pentane-1,4-dione

Systemtic Name: 1-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]pentane-1,4-dione Openeye Name: 1-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-yl]pentane-1,4-dione CAS Name: 1-[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazinyl]pentane-1,4-dione IUPAC Name: 1-[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]pentane-1,4-dione Traditional Name: 1-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazino]pentane-1,4-dione Formula: C16H21BrN2O4S MolecularWeight: 417.31794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21BrN2O4S/c1-12-11-14(4-5-15(12)17)24(22,23)19-9-7-18(8-10-19)16(21)6-3-13(2)20/h4-5,11H,3,6-10H2,1-2H3