N-[(2-methoxy-5-methylsulfinyl-phenyl)methyl]-2-phenyl-piperidin-3-amine

Systemtic Name: N-[(2-methoxy-5-methylsulfinyl-phenyl)methyl]-2-phenyl-piperidin-3-amine Openeye Name: N-[(2-methoxy-5-methylsulfinyl-phenyl)methyl]-2-phenyl-piperidin-3-amine CAS Name: N-[(2-methoxy-5-methylsulfinylphenyl)methyl]-2-phenyl-3-piperidinamine IUPAC Name: N-[(2-methoxy-5-methylsulfinylphenyl)methyl]-2-phenylpiperidin-3-amine Traditional Name: (2-methoxy-5-methylsulfinyl-benzyl)-(2-phenyl-3-piperidyl)amine Formula: C20H26N2O2S MolecularWeight: 358.49764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)C)CNC2CCCNC2C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)C)CNC2CCCNC2C3=CC=CC=C3

InChI

InChI=1S/C20H26N2O2S/c1-24-19-11-10-17(25(2)23)13-16(19)14-22-18-9-6-12-21-20(18)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,18,20-22H,6,9,12,14H2,1-2H3