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

Systemtic Name: 4-methyl-N-[3-[4-[(4-methylsulfonylphenyl)methyl]piperidin-1-yl]propyl]aniline dihydrochloride Openeye Name: 4-methyl-N-[3-[4-[(4-methylsulfonylphenyl)methyl]-1-piperidyl]propyl]aniline dihydrochloride CAS Name: 4-methyl-N-[3-[4-[(4-methylsulfonylphenyl)methyl]-1-piperidinyl]propyl]aniline dihydrochloride IUPAC Name: 4-methyl-N-[3-[4-[(4-methylsulfonylphenyl)methyl]piperidin-1-yl]propyl]aniline dihydrochloride Traditional Name: 3-[4-(4-mesylbenzyl)piperidino]propyl-(p-tolyl)amine dihydrochloride Formula: C23H34Cl2N2O2S MolecularWeight: 473.49926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCCCN2CCC(CC2)CC3=CC=C(C=C3)S(=O)(=O)C.Cl.Cl

Isomeric SMILES

CC1=CC=C(C=C1)NCCCN2CCC(CC2)CC3=CC=C(C=C3)S(=O)(=O)C.Cl.Cl

InChI

InChI=1S/C23H32N2O2S.2ClH/c1-19-4-8-22(9-5-19)24-14-3-15-25-16-12-21(13-17-25)18-20-6-10-23(11-7-20)28(2,26)27;;/h4-11,21,24H,3,12-18H2,1-2H3;2*1H