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

Systemtic Name: 4-methylsulfanyl-N-[3-[4-[(4-methylsulfonylphenyl)methyl]piperidin-1-yl]propyl]aniline Openeye Name: 4-methylsulfanyl-N-[3-[4-[(4-methylsulfonylphenyl)methyl]-1-piperidyl]propyl]aniline CAS Name: N-[3-[4-[(4-methylsulfonylphenyl)methyl]-1-piperidinyl]propyl]-4-(methylthio)aniline IUPAC Name: 4-methylsulfanyl-N-[3-[4-[(4-methylsulfonylphenyl)methyl]piperidin-1-yl]propyl]aniline Traditional Name: 3-[4-(4-mesylbenzyl)piperidino]propyl-[4-(methylthio)phenyl]amine Formula: C23H32N2O2S2 MolecularWeight: 432.64238

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O2S2/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