1-[3-[(2S)-butan-2-yl]-4-ethoxy-phenyl]sulfonyl-4-(4-fluorophenyl)piperazine

Systemtic Name: 1-[3-[(2S)-butan-2-yl]-4-ethoxy-phenyl]sulfonyl-4-(4-fluorophenyl)piperazine Openeye Name: 1-[4-ethoxy-3-[(1S)-1-methylpropyl]phenyl]sulfonyl-4-(4-fluorophenyl)piperazine CAS Name: 1-[3-[(2S)-butan-2-yl]-4-ethoxyphenyl]sulfonyl-4-(4-fluorophenyl)piperazine IUPAC Name: 1-[3-[(2S)-butan-2-yl]-4-ethoxyphenyl]sulfonyl-4-(4-fluorophenyl)piperazine Traditional Name: 1-[4-ethoxy-3-[(1S)-1-methylpropyl]phenyl]sulfonyl-4-(4-fluorophenyl)piperazine Formula: C22H29FN2O3S MolecularWeight: 420.540663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)C1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F)OCC

InChI

InChI=1S/C22H29FN2O3S/c1-4-17(3)21-16-20(10-11-22(21)28-5-2)29(26,27)25-14-12-24(13-15-25)19-8-6-18(23)7-9-19/h6-11,16-17H,4-5,12-15H2,1-3H3/t17-/m0/s1