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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O2S2/c1-28-22-6-3-5-21(18-22)24-13-4-14-25-15-11-20(12-16-25)17-19-7-9-23(10-8-19)29(2,26)27/h3,5-10,18,20,24H,4,11-17H2,1-2H3