[(1S)-1-cyclobutyl-2-oxidanylidene-2-phenylazanyl-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [(1S)-1-cyclobutyl-2-oxidanylidene-2-phenylazanyl-ethyl] 4-methylbenzenesulfonate Openeye Name: [(1S)-2-anilino-1-cyclobutyl-2-oxo-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S)-2-anilino-1-cyclobutyl-2-oxoethyl] ester IUPAC Name: [(1S)-2-anilino-1-cyclobutyl-2-oxoethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-2-anilino-1-cyclobutyl-2-keto-ethyl] ester Formula: C19H21NO4S MolecularWeight: 359.43934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C2CCC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H](C2CCC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H21NO4S/c1-14-10-12-17(13-11-14)25(22,23)24-18(15-6-5-7-15)19(21)20-16-8-3-2-4-9-16/h2-4,8-13,15,18H,5-7H2,1H3,(H,20,21)/t18-/m0/s1