1-[3-ethylsulfonyl-5-(4-fluorophenyl)-4-methoxy-phenyl]-4-(2-pyridin-4-ylethyl)piperazine

Systemtic Name: 1-[3-ethylsulfonyl-5-(4-fluorophenyl)-4-methoxy-phenyl]-4-(2-pyridin-4-ylethyl)piperazine Openeye Name: 1-[3-ethylsulfonyl-5-(4-fluorophenyl)-4-methoxy-phenyl]-4-[2-(4-pyridyl)ethyl]piperazine CAS Name: 1-[3-ethylsulfonyl-5-(4-fluorophenyl)-4-methoxyphenyl]-4-(2-pyridin-4-ylethyl)piperazine IUPAC Name: 1-[3-ethylsulfonyl-5-(4-fluorophenyl)-4-methoxyphenyl]-4-(2-pyridin-4-ylethyl)piperazine Traditional Name: 1-[3-esyl-5-(4-fluorophenyl)-4-methoxy-phenyl]-4-[2-(4-pyridyl)ethyl]piperazine Formula: C26H30FN3O3S MolecularWeight: 483.598103

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C(C(=CC(=C1)N2CCN(CC2)CCC3=CC=NC=C3)C4=CC=C(C=C4)F)OC

Isomeric SMILES

CCS(=O)(=O)C1=C(C(=CC(=C1)N2CCN(CC2)CCC3=CC=NC=C3)C4=CC=C(C=C4)F)OC

InChI

InChI=1S/C26H30FN3O3S/c1-3-34(31,32)25-19-23(18-24(26(25)33-2)21-4-6-22(27)7-5-21)30-16-14-29(15-17-30)13-10-20-8-11-28-12-9-20/h4-9,11-12,18-19H,3,10,13-17H2,1-2H3