[(2S)-3,3-dimethyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-3,3-dimethyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl] 4-methylbenzenesulfonate Openeye Name: [(1S)-2,2-dimethyl-1-(phenylcarbamoyl)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-1-anilino-3,3-dimethyl-1-oxobutan-2-yl] ester IUPAC Name: [(2S)-1-anilino-3,3-dimethyl-1-oxobutan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-2,2-dimethyl-1-(phenylcarbamoyl)propyl] ester Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C(=O)NC2=CC=CC=C2)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H](C(=O)NC2=CC=CC=C2)C(C)(C)C

InChI

InChI=1S/C19H23NO4S/c1-14-10-12-16(13-11-14)25(22,23)24-17(19(2,3)4)18(21)20-15-8-6-5-7-9-15/h5-13,17H,1-4H3,(H,20,21)/t17-/m1/s1