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

Systemtic Name: 3-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]phenol Openeye Name: 3-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]phenol CAS Name: 3-[4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-1-piperazinyl]phenol IUPAC Name: 3-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]phenol Traditional Name: 3-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazino]phenol Formula: C21H28N2O3S MolecularWeight: 388.52362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3S/c1-14-15(2)17(4)21(18(5)16(14)3)27(25,26)23-11-9-22(10-12-23)19-7-6-8-20(24)13-19/h6-8,13,24H,9-12H2,1-5H3