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

Systemtic Name: 2-(5-chloranyl-1-benzothiophen-3-yl)-1-[(2S,3S)-3-propoxy-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone Openeye Name: 2-(5-chlorobenzothiophen-3-yl)-1-[(2S,3S)-3-propoxy-2-(pyrrolidin-1-ylmethyl)-1-piperidyl]ethanone CAS Name: 2-(5-chloro-1-benzothiophen-3-yl)-1-[(2S,3S)-3-propoxy-2-(1-pyrrolidinylmethyl)-1-piperidinyl]ethanone IUPAC Name: 2-(5-chloro-1-benzothiophen-3-yl)-1-[(2S,3S)-3-propoxy-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone Traditional Name: 2-(5-chlorobenzothiophen-3-yl)-1-[(2S,3S)-3-propoxy-2-(pyrrolidinomethyl)piperidino]ethanone Formula: C23H31ClN2O2S MolecularWeight: 435.02244

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1CCCN(C1CN2CCCC2)C(=O)CC3=CSC4=C3C=C(C=C4)Cl

Isomeric SMILES

CCCO[C@H]1CCCN([C@H]1CN2CCCC2)C(=O)CC3=CSC4=C3C=C(C=C4)Cl

InChI

InChI=1S/C23H31ClN2O2S/c1-2-12-28-21-6-5-11-26(20(21)15-25-9-3-4-10-25)23(27)13-17-16-29-22-8-7-18(24)14-19(17)22/h7-8,14,16,20-21H,2-6,9-13,15H2,1H3/t20-,21-/m0/s1