(3S)-1-[[4-fluoranyl-3-(methoxymethyl)-1-benzothiophen-2-yl]carbonyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[[4-fluoranyl-3-(methoxymethyl)-1-benzothiophen-2-yl]carbonyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-[4-fluoro-3-(methoxymethyl)benzothiophene-2-carbonyl]-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[[4-fluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]-oxomethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carbonyl]-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-[4-fluoro-3-(methoxymethyl)benzothiophene-2-carbonyl]-N-phenyl-nipecotamide Formula: C23H23FN2O3S MolecularWeight: 426.503723

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(SC2=CC=CC(=C21)F)C(=O)N3CCCC(C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

COCC1=C(SC2=CC=CC(=C21)F)C(=O)N3CCC[C@@H](C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H23FN2O3S/c1-29-14-17-20-18(24)10-5-11-19(20)30-21(17)23(28)26-12-6-7-15(13-26)22(27)25-16-8-3-2-4-9-16/h2-5,8-11,15H,6-7,12-14H2,1H3,(H,25,27)/t15-/m0/s1