2-[(4-methylphenyl)sulfonyl-[2-(oxidanylamino)-2-oxidanylidene-ethyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-[2-(oxidanylamino)-2-oxidanylidene-ethyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-(hydroxyamino)-2-oxo-ethyl]-(p-tolylsulfonyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-(hydroxyamino)-2-oxoethyl]-(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-(hydroxyamino)-2-oxoethyl]-(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(hydroxyamino)-2-keto-ethyl]-tosyl-amino]-3-phenyl-propionic acid Formula: C18H20N2O6S MolecularWeight: 392.4262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NO)C(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NO)C(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H20N2O6S/c1-13-7-9-15(10-8-13)27(25,26)20(12-17(21)19-24)16(18(22)23)11-14-5-3-2-4-6-14/h2-10,16,24H,11-12H2,1H3,(H,19,21)(H,22,23)