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

Systemtic Name: 2-[4-(4-tert-butylphenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(4-tert-butylphenyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(4-tert-butylbenzoyl)piperazino]sulfonylbenzonitrile Formula: C22H25N3O3S MolecularWeight: 411.5172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C22H25N3O3S/c1-22(2,3)19-10-8-17(9-11-19)21(26)24-12-14-25(15-13-24)29(27,28)20-7-5-4-6-18(20)16-23/h4-11H,12-15H2,1-3H3