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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H26ClFN2O2S/c1-2-3-4-17-5-8-19(9-6-17)28(26,27)25-13-11-24(12-14-25)16-18-7-10-21(23)20(22)15-18/h5-10,15H,2-4,11-14,16H2,1H3