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

Systemtic Name: [(2S)-4-methyl-1-oxidanylidene-1-phenylazanyl-pentan-2-yl] 4-methylbenzenesulfonate Openeye Name: [(1S)-3-methyl-1-(phenylcarbamoyl)butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-1-anilino-4-methyl-1-oxopentan-2-yl] ester IUPAC Name: [(2S)-1-anilino-4-methyl-1-oxopentan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-3-methyl-1-(phenylcarbamoyl)butyl] 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(CC(C)C)C(=O)NC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO4S/c1-14(2)13-18(19(21)20-16-7-5-4-6-8-16)24-25(22,23)17-11-9-15(3)10-12-17/h4-12,14,18H,13H2,1-3H3,(H,20,21)/t18-/m0/s1