2-[4-[3-(4-propan-2-ylphenyl)propanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[3-(4-propan-2-ylphenyl)propanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[3-(4-isopropylphenyl)propanoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-oxo-3-(4-propan-2-ylphenyl)propyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[3-(4-propan-2-ylphenyl)propanoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(3-p-cumenylpropanoyl)piperazino]sulfonylbenzonitrile Formula: C23H27N3O3S MolecularWeight: 425.54378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3S/c1-18(2)20-10-7-19(8-11-20)9-12-23(27)25-13-15-26(16-14-25)30(28,29)22-6-4-3-5-21(22)17-24/h3-8,10-11,18H,9,12-16H2,1-2H3