1-(5-chloranyl-2-methyl-phenyl)-4-[4-(2-methylpropyl)phenyl]sulfonyl-piperazine

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-4-[4-(2-methylpropyl)phenyl]sulfonyl-piperazine Openeye Name: 1-(5-chloro-2-methyl-phenyl)-4-(4-isobutylphenyl)sulfonyl-piperazine CAS Name: 1-(5-chloro-2-methylphenyl)-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine IUPAC Name: 1-(5-chloro-2-methylphenyl)-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine Traditional Name: 1-(5-chloro-2-methyl-phenyl)-4-(4-isobutylphenyl)sulfonyl-piperazine Formula: C21H27ClN2O2S MolecularWeight: 406.96928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)CC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)CC(C)C

InChI

InChI=1S/C21H27ClN2O2S/c1-16(2)14-18-5-8-20(9-6-18)27(25,26)24-12-10-23(11-13-24)21-15-19(22)7-4-17(21)3/h4-9,15-16H,10-14H2,1-3H3