2-[4-[3-(4-tert-butylphenyl)propanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[3-(4-tert-butylphenyl)propanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[3-(4-tert-butylphenyl)propanoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[3-(4-tert-butylphenyl)-1-oxopropyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[3-(4-tert-butylphenyl)propanoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[3-(4-tert-butylphenyl)propanoyl]piperazino]sulfonylbenzonitrile Formula: C24H29N3O3S MolecularWeight: 439.57036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O3S/c1-24(2,3)21-11-8-19(9-12-21)10-13-23(28)26-14-16-27(17-15-26)31(29,30)22-7-5-4-6-20(22)18-25/h4-9,11-12H,10,13-17H2,1-3H3