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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O2S.2ClH/c1-19-5-3-6-22(17-19)24-13-4-14-25-15-11-21(12-16-25)18-20-7-9-23(10-8-20)28(2,26)27;;/h3,5-10,17,21,24H,4,11-16,18H2,1-2H3;2*1H