1-[(4-bromophenyl)methyl]-4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-piperazine

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-piperazine Openeye Name: 1-[(4-bromophenyl)methyl]-4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-piperazine CAS Name: 1-[(4-bromophenyl)methyl]-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine IUPAC Name: 1-[(4-bromophenyl)methyl]-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine Traditional Name: 1-(4-bromobenzyl)-4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-piperazine Formula: C22H29BrN2O2S MolecularWeight: 465.44686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)Br)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)Br)C)C

InChI

InChI=1S/C22H29BrN2O2S/c1-15-16(2)18(4)22(19(5)17(15)3)28(26,27)25-12-10-24(11-13-25)14-20-6-8-21(23)9-7-20/h6-9H,10-14H2,1-5H3