4-[(4-fluorophenyl)methyl]-1-[2-(3-methoxy-4-nitro-phenyl)sulfanylethyl]piperidine

Systemtic Name: 4-[(4-fluorophenyl)methyl]-1-[2-(3-methoxy-4-nitro-phenyl)sulfanylethyl]piperidine Openeye Name: 4-[(4-fluorophenyl)methyl]-1-[2-(3-methoxy-4-nitro-phenyl)sulfanylethyl]piperidine CAS Name: 4-[(4-fluorophenyl)methyl]-1-[2-[(3-methoxy-4-nitrophenyl)thio]ethyl]piperidine IUPAC Name: 4-[(4-fluorophenyl)methyl]-1-[2-(3-methoxy-4-nitrophenyl)sulfanylethyl]piperidine Traditional Name: 4-(4-fluorobenzyl)-1-[2-[(3-methoxy-4-nitro-phenyl)thio]ethyl]piperidine Formula: C21H25FN2O3S MolecularWeight: 404.498203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SCCN2CCC(CC2)CC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)SCCN2CCC(CC2)CC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H25FN2O3S/c1-27-21-15-19(6-7-20(21)24(25)26)28-13-12-23-10-8-17(9-11-23)14-16-2-4-18(22)5-3-16/h2-7,15,17H,8-14H2,1H3