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

Systemtic Name: 1-[3-ethylsulfonyl-5-(4-fluorophenyl)-4-methoxy-phenyl]-4-(2-pyridin-2-ylethyl)piperazine Openeye Name: 1-[3-ethylsulfonyl-5-(4-fluorophenyl)-4-methoxy-phenyl]-4-[2-(2-pyridyl)ethyl]piperazine CAS Name: 1-[3-ethylsulfonyl-5-(4-fluorophenyl)-4-methoxyphenyl]-4-[2-(2-pyridinyl)ethyl]piperazine IUPAC Name: 1-[3-ethylsulfonyl-5-(4-fluorophenyl)-4-methoxyphenyl]-4-(2-pyridin-2-ylethyl)piperazine Traditional Name: 1-[3-esyl-5-(4-fluorophenyl)-4-methoxy-phenyl]-4-[2-(2-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=CC=N3)C4=CC=C(C=C4)F)OC

Isomeric SMILES

CCS(=O)(=O)C1=C(C(=CC(=C1)N2CCN(CC2)CCC3=CC=CC=N3)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)20-7-9-21(27)10-8-20)30-16-14-29(15-17-30)13-11-22-6-4-5-12-28-22/h4-10,12,18-19H,3,11,13-17H2,1-2H3