methyl 2-[(1-methylazetidin-3-yl)sulfonylmethyl]-3-phenyl-propanoate

Systemtic Name: methyl 2-[(1-methylazetidin-3-yl)sulfonylmethyl]-3-phenyl-propanoate Openeye Name: methyl 2-benzyl-3-(1-methylazetidin-3-yl)sulfonyl-propanoate CAS Name: 2-[(1-methyl-3-azetidinyl)sulfonylmethyl]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-benzyl-3-(1-methylazetidin-3-yl)sulfonylpropanoate Traditional Name: 2-benzyl-3-(1-methylazetidin-3-yl)sulfonyl-propionic acid methyl ester Formula: C15H21NO4S MolecularWeight: 311.39654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CN1CC(C1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C15H21NO4S/c1-16-9-14(10-16)21(18,19)11-13(15(17)20-2)8-12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3