2-[methylsulfonyl-[1-(phenylmethyl)piperidin-4-yl]amino]ethanoic acid

Systemtic Name: 2-[methylsulfonyl-[1-(phenylmethyl)piperidin-4-yl]amino]ethanoic acid Openeye Name: 2-[(1-benzyl-4-piperidyl)-methylsulfonyl-amino]acetic acid CAS Name: 2-[methylsulfonyl-[1-(phenylmethyl)-4-piperidinyl]amino]acetic acid IUPAC Name: 2-[(1-benzylpiperidin-4-yl)-methylsulfonylamino]acetic acid Traditional Name: 2-[(1-benzyl-4-piperidyl)-mesyl-amino]acetic acid Formula: C15H22N2O4S MolecularWeight: 326.41118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)O)C1CCN(CC1)CC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)N(CC(=O)O)C1CCN(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C15H22N2O4S/c1-22(20,21)17(12-15(18)19)14-7-9-16(10-8-14)11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,18,19)