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

Systemtic Name: 2-(5-chloranyl-1-benzothiophen-3-yl)-1-[(2R,3R)-3-cyclohexyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone Openeye Name: 2-(5-chlorobenzothiophen-3-yl)-1-[(2R,3R)-3-cyclohexyl-2-(pyrrolidin-1-ylmethyl)-1-piperidyl]ethanone CAS Name: 2-(5-chloro-1-benzothiophen-3-yl)-1-[(2R,3R)-3-cyclohexyl-2-(1-pyrrolidinylmethyl)-1-piperidinyl]ethanone IUPAC Name: 2-(5-chloro-1-benzothiophen-3-yl)-1-[(2R,3R)-3-cyclohexyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone Traditional Name: 2-(5-chlorobenzothiophen-3-yl)-1-[(2R,3R)-3-cyclohexyl-2-(pyrrolidinomethyl)piperidino]ethanone Formula: C26H35ClN2OS MolecularWeight: 459.0869

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CCCN(C2CN3CCCC3)C(=O)CC4=CSC5=C4C=C(C=C5)Cl

Isomeric SMILES

C1CCC(CC1)[C@H]2CCCN([C@H]2CN3CCCC3)C(=O)CC4=CSC5=C4C=C(C=C5)Cl

InChI

InChI=1S/C26H35ClN2OS/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/h10-11,16,18-19,22,24H,1-9,12-15,17H2/t22-,24+/m1/s1