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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

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