1-(4-bromophenyl)sulfonyl-2-tridecyl-4-(triphenylmethyl)piperazine

Systemtic Name: 1-(4-bromophenyl)sulfonyl-2-tridecyl-4-(triphenylmethyl)piperazine Openeye Name: 1-(4-bromophenyl)sulfonyl-2-tridecyl-4-trityl-piperazine CAS Name: 1-(4-bromophenyl)sulfonyl-2-tridecyl-4-(triphenylmethyl)piperazine IUPAC Name: 1-(4-bromophenyl)sulfonyl-2-tridecyl-4-tritylpiperazine Traditional Name: 1-brosyl-2-tridecyl-4-trityl-piperazine Formula: C42H53BrN2O2S MolecularWeight: 729.85142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)Br)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCCCCCCCCCCC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)Br)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C42H53BrN2O2S/c1-2-3-4-5-6-7-8-9-10-11-21-28-40-35-44(33-34-45(40)48(46,47)41-31-29-39(43)30-32-41)42(36-22-15-12-16-23-36,37-24-17-13-18-25-37)38-26-19-14-20-27-38/h12-20,22-27,29-32,40H,2-11,21,28,33-35H2,1H3