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

Systemtic Name: N-[3-[4-[(4-methylsulfonylphenyl)methyl]piperidin-1-yl]propyl]aniline dihydrochloride Openeye Name: N-[3-[4-[(4-methylsulfonylphenyl)methyl]-1-piperidyl]propyl]aniline dihydrochloride CAS Name: N-[3-[4-[(4-methylsulfonylphenyl)methyl]-1-piperidinyl]propyl]aniline dihydrochloride IUPAC Name: N-[3-[4-[(4-methylsulfonylphenyl)methyl]piperidin-1-yl]propyl]aniline dihydrochloride Traditional Name: 3-[4-(4-mesylbenzyl)piperidino]propyl-phenyl-amine dihydrochloride Formula: C22H32Cl2N2O2S MolecularWeight: 459.47268

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CC2CCN(CC2)CCCNC3=CC=CC=C3.Cl.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CC2CCN(CC2)CCCNC3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C22H30N2O2S.2ClH/c1-27(25,26)22-10-8-19(9-11-22)18-20-12-16-24(17-13-20)15-5-14-23-21-6-3-2-4-7-21;;/h2-4,6-11,20,23H,5,12-18H2,1H3;2*1H