1-[(4-tert-butylphenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazine

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazine Openeye Name: 1-benzylsulfonyl-4-[(4-tert-butylphenyl)methyl]piperazine CAS Name: 1-[(4-tert-butylphenyl)methyl]-4-(phenylmethyl)sulfonylpiperazine IUPAC Name: 1-benzylsulfonyl-4-[(4-tert-butylphenyl)methyl]piperazine Traditional Name: 1-benzylsulfonyl-4-(4-tert-butylbenzyl)piperazine Formula: C22H30N2O2S MolecularWeight: 386.5508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H30N2O2S/c1-22(2,3)21-11-9-19(10-12-21)17-23-13-15-24(16-14-23)27(25,26)18-20-7-5-4-6-8-20/h4-12H,13-18H2,1-3H3