4-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile CAS Name: 4-[oxo-[4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Formula: C23H27N3O3S MolecularWeight: 425.54378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C#N)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C#N)C)C

InChI

InChI=1S/C23H27N3O3S/c1-15-16(2)18(4)22(19(5)17(15)3)30(28,29)26-12-10-25(11-13-26)23(27)21-8-6-20(14-24)7-9-21/h6-9H,10-13H2,1-5H3