4-methylsulfanyl-N-[3-[4-[(4-methylsulfonylphenyl)methyl]piperidin-1-yl]propyl]aniline dihydrochloride

Systemtic Name: 4-methylsulfanyl-N-[3-[4-[(4-methylsulfonylphenyl)methyl]piperidin-1-yl]propyl]aniline dihydrochloride Openeye Name: 4-methylsulfanyl-N-[3-[4-[(4-methylsulfonylphenyl)methyl]-1-piperidyl]propyl]aniline dihydrochloride CAS Name: N-[3-[4-[(4-methylsulfonylphenyl)methyl]-1-piperidinyl]propyl]-4-(methylthio)aniline dihydrochloride IUPAC Name: 4-methylsulfanyl-N-[3-[4-[(4-methylsulfonylphenyl)methyl]piperidin-1-yl]propyl]aniline dihydrochloride Traditional Name: 3-[4-(4-mesylbenzyl)piperidino]propyl-[4-(methylthio)phenyl]amine dihydrochloride Formula: C23H34Cl2N2O2S2 MolecularWeight: 505.56426

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NCCCN2CCC(CC2)CC3=CC=C(C=C3)S(=O)(=O)C.Cl.Cl

Isomeric SMILES

CSC1=CC=C(C=C1)NCCCN2CCC(CC2)CC3=CC=C(C=C3)S(=O)(=O)C.Cl.Cl

InChI

InChI=1S/C23H32N2O2S2.2ClH/c1-28-22-8-6-21(7-9-22)24-14-3-15-25-16-12-20(13-17-25)18-19-4-10-23(11-5-19)29(2,26)27;;/h4-11,20,24H,3,12-18H2,1-2H3;2*1H