[4-(4-methylsulfanylbutoxy)phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

Systemtic Name: [4-(4-methylsulfanylbutoxy)phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone Openeye Name: [4-(4-methylsulfanylbutoxy)phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone CAS Name: [4-[4-(methylthio)butoxy]phenyl]-[(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methanone IUPAC Name: [4-(4-methylsulfanylbutoxy)phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone Traditional Name: [4-[4-(methylthio)butoxy]phenyl]-[(2S)-2-(pyrrolidinomethyl)pyrrolidino]methanone Formula: C21H32N2O2S MolecularWeight: 376.55598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCCCOC1=CC=C(C=C1)C(=O)N2CCCC2CN3CCCC3

Isomeric SMILES

CSCCCCOC1=CC=C(C=C1)C(=O)N2CCC[C@H]2CN3CCCC3

InChI

InChI=1S/C21H32N2O2S/c1-26-16-5-4-15-25-20-10-8-18(9-11-20)21(24)23-14-6-7-19(23)17-22-12-2-3-13-22/h8-11,19H,2-7,12-17H2,1H3/t19-/m0/s1