1-(2-butoxy-5-chloranyl-4-methyl-phenyl)sulfonyl-4-(4-fluorophenyl)piperazine

Systemtic Name: 1-(2-butoxy-5-chloranyl-4-methyl-phenyl)sulfonyl-4-(4-fluorophenyl)piperazine Openeye Name: 1-(2-butoxy-5-chloro-4-methyl-phenyl)sulfonyl-4-(4-fluorophenyl)piperazine CAS Name: 1-(2-butoxy-5-chloro-4-methylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine IUPAC Name: 1-(2-butoxy-5-chloro-4-methylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine Traditional Name: 1-(2-butoxy-5-chloro-4-methyl-phenyl)sulfonyl-4-(4-fluorophenyl)piperazine Formula: C21H26ClFN2O3S MolecularWeight: 440.959143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C(=C1)C)Cl)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCOC1=C(C=C(C(=C1)C)Cl)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H26ClFN2O3S/c1-3-4-13-28-20-14-16(2)19(22)15-21(20)29(26,27)25-11-9-24(10-12-25)18-7-5-17(23)6-8-18/h5-8,14-15H,3-4,9-13H2,1-2H3