N-[(4-fluorophenyl)methyl]-4-[4-[2-[[(2S)-2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]ethyl]phenyl]sulfanyl-piperidine-1-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-[4-[2-[[(2S)-2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]ethyl]phenyl]sulfanyl-piperidine-1-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-4-[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]sulfanyl-piperidine-1-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-4-[[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]thio]-1-piperidinecarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-4-[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]sulfanylpiperidine-1-carboxamide Traditional Name: N-(4-fluorobenzyl)-4-[[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]thio]piperidine-1-carboxamide Formula: C30H36FN3O4S MolecularWeight: 553.687943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1SC2=CC=C(C=C2)CCNCC(COC3=CC=C(C=C3)O)O)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1SC2=CC=C(C=C2)CCNC[C@@H](COC3=CC=C(C=C3)O)O)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C30H36FN3O4S/c31-24-5-1-23(2-6-24)19-33-30(37)34-17-14-29(15-18-34)39-28-11-3-22(4-12-28)13-16-32-20-26(36)21-38-27-9-7-25(35)8-10-27/h1-12,26,29,32,35-36H,13-21H2,(H,33,37)/t26-/m0/s1