2-[1-methyl-4-(4-phenylphenyl)sulfinyl-piperidin-4-yl]propanoic acid

Systemtic Name: 2-[1-methyl-4-(4-phenylphenyl)sulfinyl-piperidin-4-yl]propanoic acid Openeye Name: 2-[1-methyl-4-(4-phenylphenyl)sulfinyl-4-piperidyl]propanoic acid CAS Name: 2-[1-methyl-4-(4-phenylphenyl)sulfinyl-4-piperidinyl]propanoic acid IUPAC Name: 2-[1-methyl-4-(4-phenylphenyl)sulfinylpiperidin-4-yl]propanoic acid Traditional Name: 2-[1-methyl-4-(4-phenylphenyl)sulfinyl-4-piperidyl]propionic acid Formula: C21H25NO3S MolecularWeight: 371.4931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)C1(CCN(CC1)C)S(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)O)C1(CCN(CC1)C)S(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H25NO3S/c1-16(20(23)24)21(12-14-22(2)15-13-21)26(25)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,23,24)