2-(5-chloranyl-1-benzothiophen-3-yl)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-(5-chloranyl-1-benzothiophen-3-yl)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone Openeye Name: 2-(5-chlorobenzothiophen-3-yl)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)-1-piperidyl]ethanone CAS Name: 2-(5-chloro-1-benzothiophen-3-yl)-1-[(2S,3S)-3-phenyl-2-(1-pyrrolidinylmethyl)-1-piperidinyl]ethanone IUPAC Name: 2-(5-chloro-1-benzothiophen-3-yl)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone Traditional Name: 2-(5-chlorobenzothiophen-3-yl)-1-[(2S,3S)-3-phenyl-2-(pyrrolidinomethyl)piperidino]ethanone Formula: C26H29ClN2OS MolecularWeight: 453.03926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2C(CCCN2C(=O)CC3=CSC4=C3C=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C[C@@H]2[C@@H](CCCN2C(=O)CC3=CSC4=C3C=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C26H29ClN2OS/c27-21-10-11-25-23(16-21)20(18-31-25)15-26(30)29-14-6-9-22(19-7-2-1-3-8-19)24(29)17-28-12-4-5-13-28/h1-3,7-8,10-11,16,18,22,24H,4-6,9,12-15,17H2/t22-,24+/m0/s1