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

Systemtic Name: [(2S)-1-oxidanylidene-1-phenylazanyl-pentan-2-yl] 4-methylbenzenesulfonate Openeye Name: [(1S)-1-(phenylcarbamoyl)butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-1-anilino-1-oxopentan-2-yl] ester IUPAC Name: [(2S)-1-anilino-1-oxopentan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-1-(phenylcarbamoyl)butyl] ester Formula: C18H21NO4S MolecularWeight: 347.42864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO4S/c1-3-7-17(18(20)19-15-8-5-4-6-9-15)23-24(21,22)16-12-10-14(2)11-13-16/h4-6,8-13,17H,3,7H2,1-2H3,(H,19,20)/t17-/m0/s1