3-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-[(4-tert-butylphenyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-(4-tert-butylbenzyl)piperazino]sulfonylbenzonitrile Formula: C22H27N3O2S MolecularWeight: 397.53368

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)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H27N3O2S/c1-22(2,3)20-9-7-18(8-10-20)17-24-11-13-25(14-12-24)28(26,27)21-6-4-5-19(15-21)16-23/h4-10,15H,11-14,17H2,1-3H3