1-[(2-bromophenyl)methyl]-2-[1-(5-phenylpent-4-ynyl)cyclohexyl]sulfonyl-benzene

Systemtic Name: 1-[(2-bromophenyl)methyl]-2-[1-(5-phenylpent-4-ynyl)cyclohexyl]sulfonyl-benzene Openeye Name: 1-[(2-bromophenyl)methyl]-2-[1-(5-phenylpent-4-ynyl)cyclohexyl]sulfonyl-benzene CAS Name: 1-[(2-bromophenyl)methyl]-2-[1-(5-phenylpent-4-ynyl)cyclohexyl]sulfonylbenzene IUPAC Name: 1-[(2-bromophenyl)methyl]-2-[1-(5-phenylpent-4-ynyl)cyclohexyl]sulfonylbenzene Traditional Name: 1-(2-bromobenzyl)-2-[1-(5-phenylpent-4-ynyl)cyclohexyl]sulfonyl-benzene Formula: C30H31BrO2S MolecularWeight: 535.53494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CCCC#CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3CC4=CC=CC=C4Br

Isomeric SMILES

C1CCC(CC1)(CCCC#CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3CC4=CC=CC=C4Br

InChI

InChI=1S/C30H31BrO2S/c31-28-19-9-7-17-26(28)24-27-18-8-10-20-29(27)34(32,33)30(22-12-3-13-23-30)21-11-2-6-16-25-14-4-1-5-15-25/h1,4-5,7-10,14-15,17-20H,2-3,11-13,21-24H2