[(2S)-1-oxidanylidene-1-phenylazanyl-butan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-1-oxidanylidene-1-phenylazanyl-butan-2-yl] 4-methylbenzenesulfonate Openeye Name: [(1S)-1-(phenylcarbamoyl)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-1-anilino-1-oxobutan-2-yl] ester IUPAC Name: [(2S)-1-anilino-1-oxobutan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-1-(phenylcarbamoyl)propyl] ester Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC[C@@H](C(=O)NC1=CC=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C17H19NO4S/c1-3-16(17(19)18-14-7-5-4-6-8-14)22-23(20,21)15-11-9-13(2)10-12-15/h4-12,16H,3H2,1-2H3,(H,18,19)/t16-/m0/s1