N-[(2-methoxy-5-propan-2-ylsulfonyl-phenyl)methyl]-2-phenyl-piperidin-3-amine dihydrochloride

Systemtic Name: N-[(2-methoxy-5-propan-2-ylsulfonyl-phenyl)methyl]-2-phenyl-piperidin-3-amine dihydrochloride Openeye Name: N-[(5-isopropylsulfonyl-2-methoxy-phenyl)methyl]-2-phenyl-piperidin-3-amine dihydrochloride CAS Name: N-[(2-methoxy-5-propan-2-ylsulfonylphenyl)methyl]-2-phenyl-3-piperidinamine dihydrochloride IUPAC Name: N-[(2-methoxy-5-propan-2-ylsulfonylphenyl)methyl]-2-phenylpiperidin-3-amine dihydrochloride Traditional Name: (5-isopropylsulfonyl-2-methoxy-benzyl)-(2-phenyl-3-piperidyl)amine dihydrochloride Formula: C22H32Cl2N2O3S MolecularWeight: 475.47208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC(=C(C=C1)OC)CNC2CCCNC2C3=CC=CC=C3.Cl.Cl

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC(=C(C=C1)OC)CNC2CCCNC2C3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C22H30N2O3S.2ClH/c1-16(2)28(25,26)19-11-12-21(27-3)18(14-19)15-24-20-10-7-13-23-22(20)17-8-5-4-6-9-17;;/h4-6,8-9,11-12,14,16,20,22-24H,7,10,13,15H2,1-3H3;2*1H