2-(5-chloranyl-1-benzothiophen-3-yl)-1-[(2R,4S)-4-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-(5-chloranyl-1-benzothiophen-3-yl)-1-[(2R,4S)-4-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone Openeye Name: 2-(5-chlorobenzothiophen-3-yl)-1-[(2R,4S)-4-phenyl-2-(pyrrolidin-1-ylmethyl)-1-piperidyl]ethanone CAS Name: 2-(5-chloro-1-benzothiophen-3-yl)-1-[(2R,4S)-4-phenyl-2-(1-pyrrolidinylmethyl)-1-piperidinyl]ethanone IUPAC Name: 2-(5-chloro-1-benzothiophen-3-yl)-1-[(2R,4S)-4-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone Traditional Name: 2-(5-chlorobenzothiophen-3-yl)-1-[(2R,4S)-4-phenyl-2-(pyrrolidinomethyl)piperidino]ethanone Formula: C26H29ClN2OS MolecularWeight: 453.03926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2CC(CCN2C(=O)CC3=CSC4=C3C=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C[C@H]2C[C@H](CCN2C(=O)CC3=CSC4=C3C=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C26H29ClN2OS/c27-22-8-9-25-24(16-22)21(18-31-25)15-26(30)29-13-10-20(19-6-2-1-3-7-19)14-23(29)17-28-11-4-5-12-28/h1-3,6-9,16,18,20,23H,4-5,10-15,17H2/t20-,23+/m0/s1