2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(4-tert-butylphenyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(4-tert-butylbenzyl)piperazino]sulfonylbenzonitrile Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

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