1-(4-butan-2-ylphenyl)sulfonyl-4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazine

Systemtic Name: 1-(4-butan-2-ylphenyl)sulfonyl-4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazine Openeye Name: 1-[(2-chloro-4-fluoro-phenyl)methyl]-4-(4-sec-butylphenyl)sulfonyl-piperazine CAS Name: 1-(4-butan-2-ylphenyl)sulfonyl-4-[(2-chloro-4-fluorophenyl)methyl]piperazine IUPAC Name: 1-(4-butan-2-ylphenyl)sulfonyl-4-[(2-chloro-4-fluorophenyl)methyl]piperazine Traditional Name: 1-(2-chloro-4-fluoro-benzyl)-4-(4-sec-butylphenyl)sulfonyl-piperazine Formula: C21H26ClFN2O2S MolecularWeight: 424.959743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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