1-(4-butan-2-ylphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine

Systemtic Name: 1-(4-butan-2-ylphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine Openeye Name: 1-[(3-fluorophenyl)methyl]-4-(4-sec-butylphenyl)sulfonyl-piperazine CAS Name: 1-(4-butan-2-ylphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine IUPAC Name: 1-(4-butan-2-ylphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine Traditional Name: 1-(3-fluorobenzyl)-4-(4-sec-butylphenyl)sulfonyl-piperazine Formula: C21H27FN2O2S MolecularWeight: 390.514683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27FN2O2S/c1-3-17(2)19-7-9-21(10-8-19)27(25,26)24-13-11-23(12-14-24)16-18-5-4-6-20(22)15-18/h4-10,15,17H,3,11-14,16H2,1-2H3