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

Systemtic Name: 1-[3-ethylsulfonyl-5-(4-fluorophenyl)-4-methoxy-phenyl]-4-(pyridin-3-ylmethyl)piperazine Openeye Name: 1-[3-ethylsulfonyl-5-(4-fluorophenyl)-4-methoxy-phenyl]-4-(3-pyridylmethyl)piperazine CAS Name: 1-[3-ethylsulfonyl-5-(4-fluorophenyl)-4-methoxyphenyl]-4-(3-pyridinylmethyl)piperazine IUPAC Name: 1-[3-ethylsulfonyl-5-(4-fluorophenyl)-4-methoxyphenyl]-4-(pyridin-3-ylmethyl)piperazine Traditional Name: 1-[3-esyl-5-(4-fluorophenyl)-4-methoxy-phenyl]-4-(3-pyridylmethyl)piperazine Formula: C25H28FN3O3S MolecularWeight: 469.571523

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C(C(=CC(=C1)N2CCN(CC2)CC3=CN=CC=C3)C4=CC=C(C=C4)F)OC

Isomeric SMILES

CCS(=O)(=O)C1=C(C(=CC(=C1)N2CCN(CC2)CC3=CN=CC=C3)C4=CC=C(C=C4)F)OC

InChI

InChI=1S/C25H28FN3O3S/c1-3-33(30,31)24-16-22(15-23(25(24)32-2)20-6-8-21(26)9-7-20)29-13-11-28(12-14-29)18-19-5-4-10-27-17-19/h4-10,15-17H,3,11-14,18H2,1-2H3