1-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonyl-piperazine

Systemtic Name: 1-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonyl-piperazine Openeye Name: 1-[(3-chloro-4-fluoro-phenyl)methyl]-4-(4-isobutylphenyl)sulfonyl-piperazine CAS Name: 1-[(3-chloro-4-fluorophenyl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine IUPAC Name: 1-[(3-chloro-4-fluorophenyl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine Traditional Name: 1-(3-chloro-4-fluoro-benzyl)-4-(4-isobutylphenyl)sulfonyl-piperazine Formula: C21H26ClFN2O2S MolecularWeight: 424.959743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H26ClFN2O2S/c1-16(2)13-17-3-6-19(7-4-17)28(26,27)25-11-9-24(10-12-25)15-18-5-8-21(23)20(22)14-18/h3-8,14,16H,9-13,15H2,1-2H3