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

Systemtic Name: [(1S)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl] 4-methylbenzenesulfonate Openeye Name: [(1S)-2-amino-2-oxo-1-phenyl-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S)-2-amino-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-amino-2-oxo-1-phenylethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-2-amino-2-keto-1-phenyl-ethyl] ester Formula: C15H15NO4S MolecularWeight: 305.3489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H](C2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C15H15NO4S/c1-11-7-9-13(10-8-11)21(18,19)20-14(15(16)17)12-5-3-2-4-6-12/h2-10,14H,1H3,(H2,16,17)/t14-/m0/s1