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

Systemtic Name: [(2S)-1-oxidanylidene-1-phenylazanyl-hexan-2-yl] 4-methylbenzenesulfonate Openeye Name: [(1S)-1-(phenylcarbamoyl)pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-1-anilino-1-oxohexan-2-yl] ester IUPAC Name: [(2S)-1-anilino-1-oxohexan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-1-(phenylcarbamoyl)pentyl] ester Formula: C19H23NO4S MolecularWeight: 361.45522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO4S/c1-3-4-10-18(19(21)20-16-8-6-5-7-9-16)24-25(22,23)17-13-11-15(2)12-14-17/h5-9,11-14,18H,3-4,10H2,1-2H3,(H,20,21)/t18-/m0/s1