[4-(2-azanyl-1-oxidanyl-2-oxidanylidene-ethyl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(2-azanyl-1-oxidanyl-2-oxidanylidene-ethyl)phenyl] 4-methylbenzenesulfonate Openeye Name: [4-(2-amino-1-hydroxy-2-oxo-ethyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(2-amino-1-hydroxy-2-oxoethyl)phenyl] ester IUPAC Name: [4-(2-amino-1-hydroxy-2-oxoethyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(2-amino-1-hydroxy-2-keto-ethyl)phenyl] ester Formula: C15H15NO5S MolecularWeight: 321.3483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(C(=O)N)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(C(=O)N)O

InChI

InChI=1S/C15H15NO5S/c1-10-2-8-13(9-3-10)22(19,20)21-12-6-4-11(5-7-12)14(17)15(16)18/h2-9,14,17H,1H3,(H2,16,18)