3-[(4-methoxyphenyl)sulfonyl-[1-(methylamino)-2-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propanoic acid

Systemtic Name: 3-[(4-methoxyphenyl)sulfonyl-[1-(methylamino)-2-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propanoic acid Openeye Name: 3-[[1-hydroxy-1-(methylcarbamoyl)propyl]-(4-methoxyphenyl)sulfonyl-amino]propanoic acid CAS Name: 3-[[2-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-(4-methoxyphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[[2-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-(4-methoxyphenyl)sulfonylamino]propanoic acid Traditional Name: 3-[[1-hydroxy-1-(methylcarbamoyl)propyl]-(4-methoxyphenyl)sulfonyl-amino]propionic acid Formula: C15H22N2O7S MolecularWeight: 374.40938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC)(N(CCC(=O)O)S(=O)(=O)C1=CC=C(C=C1)OC)O

Isomeric SMILES

CCC(C(=O)NC)(N(CCC(=O)O)S(=O)(=O)C1=CC=C(C=C1)OC)O

InChI

InChI=1S/C15H22N2O7S/c1-4-15(21,14(20)16-2)17(10-9-13(18)19)25(22,23)12-7-5-11(24-3)6-8-12/h5-8,21H,4,9-10H2,1-3H3,(H,16,20)(H,18,19)