N-[3-[4-[(4-methylsulfonylphenyl)methyl]piperidin-1-yl]propyl]-4-propan-2-yl-aniline dihydrochloride

Systemtic Name: N-[3-[4-[(4-methylsulfonylphenyl)methyl]piperidin-1-yl]propyl]-4-propan-2-yl-aniline dihydrochloride Openeye Name: 4-isopropyl-N-[3-[4-[(4-methylsulfonylphenyl)methyl]-1-piperidyl]propyl]aniline dihydrochloride CAS Name: N-[3-[4-[(4-methylsulfonylphenyl)methyl]-1-piperidinyl]propyl]-4-propan-2-ylaniline dihydrochloride IUPAC Name: N-[3-[4-[(4-methylsulfonylphenyl)methyl]piperidin-1-yl]propyl]-4-propan-2-ylaniline dihydrochloride Traditional Name: 3-[4-(4-mesylbenzyl)piperidino]propyl-p-cumenyl-amine dihydrochloride Formula: C25H38Cl2N2O2S MolecularWeight: 501.55242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O2S.2ClH/c1-20(2)23-7-9-24(10-8-23)26-15-4-16-27-17-13-22(14-18-27)19-21-5-11-25(12-6-21)30(3,28)29;;/h5-12,20,22,26H,4,13-19H2,1-3H3;2*1H