2-[(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfonylmethyl]-3-phenyl-propanoate

Systemtic Name: 2-[(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfonylmethyl]-3-phenyl-propanoate Openeye Name: 2-benzyl-3-(2-morpholino-2-oxo-ethyl)sulfonyl-propanoate CAS Name: 2-[[2-(4-morpholinyl)-2-oxoethyl]sulfonylmethyl]-3-phenylpropanoate IUPAC Name: 2-benzyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoate Traditional Name: 2-benzyl-3-(2-keto-2-morpholino-ethyl)sulfonyl-propionate Formula: C16H20NO6S- MolecularWeight: 354.3981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CS(=O)(=O)CC(CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C1COCCN1C(=O)CS(=O)(=O)CC(CC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C16H21NO6S/c18-15(17-6-8-23-9-7-17)12-24(21,22)11-14(16(19)20)10-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,19,20)/p-1