1-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-[(4-methoxyphenyl)methyl-phenyl-amino]ethanone

Systemtic Name: 1-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-[(4-methoxyphenyl)methyl-phenyl-amino]ethanone Openeye Name: 1-[4-(4-fluoro-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-[N-[(4-methoxyphenyl)methyl]anilino]ethanone CAS Name: 1-[4-(4-fluoro-2-methylsulfonylphenyl)-1-piperazinyl]-2-[N-[(4-methoxyphenyl)methyl]anilino]ethanone IUPAC Name: 1-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-[N-[(4-methoxyphenyl)methyl]anilino]ethanone Traditional Name: 1-[4-(4-fluoro-2-mesyl-phenyl)piperazino]-2-(N-p-anisylanilino)ethanone Formula: C27H30FN3O4S MolecularWeight: 511.608203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)F)S(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)F)S(=O)(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C27H30FN3O4S/c1-35-24-11-8-21(9-12-24)19-31(23-6-4-3-5-7-23)20-27(32)30-16-14-29(15-17-30)25-13-10-22(28)18-26(25)36(2,33)34/h3-13,18H,14-17,19-20H2,1-2H3