1-(4-tert-butylphenyl)sulfonyl-4-[(3-chloranyl-4-fluoranyl-phenyl)methyl]piperazine

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClFN2O2S/c1-21(2,3)17-5-7-18(8-6-17)28(26,27)25-12-10-24(11-13-25)15-16-4-9-20(23)19(22)14-16/h4-9,14H,10-13,15H2,1-3H3