3-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-(2-methyl-1-oxo-2-phenylpropyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-(2-methyl-2-phenyl-propanoyl)piperazino]sulfonylbenzonitrile Formula: C21H23N3O3S MolecularWeight: 397.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-21(2,18-8-4-3-5-9-18)20(25)23-11-13-24(14-12-23)28(26,27)19-10-6-7-17(15-19)16-22/h3-10,15H,11-14H2,1-2H3