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

Systemtic Name: 2-(5-methyl-1-benzothiophen-3-yl)-1-[(2R,3R)-3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone Openeye Name: 2-(5-methylbenzothiophen-3-yl)-1-[(2R,3R)-3-phenyl-2-(pyrrolidin-1-ylmethyl)-1-piperidyl]ethanone CAS Name: 2-(5-methyl-1-benzothiophen-3-yl)-1-[(2R,3R)-3-phenyl-2-(1-pyrrolidinylmethyl)-1-piperidinyl]ethanone IUPAC Name: 2-(5-methyl-1-benzothiophen-3-yl)-1-[(2R,3R)-3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone Traditional Name: 2-(5-methylbenzothiophen-3-yl)-1-[(2R,3R)-3-phenyl-2-(pyrrolidinomethyl)piperidino]ethanone Formula: C27H32N2OS MolecularWeight: 432.62078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC=C2CC(=O)N3CCCC(C3CN4CCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)SC=C2CC(=O)N3CCC[C@@H]([C@@H]3CN4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C27H32N2OS/c1-20-11-12-26-24(16-20)22(19-31-26)17-27(30)29-15-7-10-23(21-8-3-2-4-9-21)25(29)18-28-13-5-6-14-28/h2-4,8-9,11-12,16,19,23,25H,5-7,10,13-15,17-18H2,1H3/t23-,25+/m1/s1