(2R)-1-(4-tert-butylphenyl)sulfonyl-2-methyl-4-[phenyl(pyridin-4-yl)methyl]piperazine

Systemtic Name: (2R)-1-(4-tert-butylphenyl)sulfonyl-2-methyl-4-[phenyl(pyridin-4-yl)methyl]piperazine Openeye Name: (2R)-1-(4-tert-butylphenyl)sulfonyl-2-methyl-4-[phenyl(4-pyridyl)methyl]piperazine CAS Name: (2R)-1-(4-tert-butylphenyl)sulfonyl-2-methyl-4-[phenyl(pyridin-4-yl)methyl]piperazine IUPAC Name: (2R)-1-(4-tert-butylphenyl)sulfonyl-2-methyl-4-[phenyl(pyridin-4-yl)methyl]piperazine Traditional Name: (2R)-1-(4-tert-butylphenyl)sulfonyl-2-methyl-4-[phenyl(4-pyridyl)methyl]piperazine Formula: C27H33N3O2S MolecularWeight: 463.63482

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C(C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C[C@@H]1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C(C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C27H33N3O2S/c1-21-20-29(26(22-8-6-5-7-9-22)23-14-16-28-17-15-23)18-19-30(21)33(31,32)25-12-10-24(11-13-25)27(2,3)4/h5-17,21,26H,18-20H2,1-4H3/t21-,26?/m1/s1