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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1CCC(CC1)CC2=CC=C(C=C2)F)SC3=CC=CC(=C3[N+](=O)[O-])OC

Isomeric SMILES

CC(N1CCC(CC1)CC2=CC=C(C=C2)F)SC3=CC=CC(=C3[N+](=O)[O-])OC

InChI

InChI=1S/C21H25FN2O3S/c1-15(28-20-5-3-4-19(27-2)21(20)24(25)26)23-12-10-17(11-13-23)14-16-6-8-18(22)9-7-16/h3-9,15,17H,10-14H2,1-2H3