(4-bromophenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4-bromophenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-bromophenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (4-bromophenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-bromophenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (4-bromophenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazino]methanone Formula: C21H25BrN2O3S MolecularWeight: 465.4038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)Br)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)Br)C)C

InChI

InChI=1S/C21H25BrN2O3S/c1-14-13-15(2)17(4)20(16(14)3)28(26,27)24-11-9-23(10-12-24)21(25)18-5-7-19(22)8-6-18/h5-8,13H,9-12H2,1-4H3