2-chloranyl-6-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-chloranyl-6-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 2-chloro-6-[4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]benzonitrile CAS Name: 2-chloro-6-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]benzonitrile IUPAC Name: 2-chloro-6-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]benzonitrile Traditional Name: 2-chloro-6-(4-p-cumenylsulfonylpiperazino)benzonitrile Formula: C20H22ClN3O2S MolecularWeight: 403.92558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O2S/c1-15(2)16-6-8-17(9-7-16)27(25,26)24-12-10-23(11-13-24)20-5-3-4-19(21)18(20)14-22/h3-9,15H,10-13H2,1-2H3