[(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [(1S)-2-anilino-1-methyl-2-oxo-ethyl] 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid [(2S)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-anilino-1-oxopropan-2-yl] 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid [(1S)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C20H21BrN2O6S MolecularWeight: 497.35954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H21BrN2O6S/c1-14(19(24)22-16-5-3-2-4-6-16)29-20(25)15-7-8-17(21)18(13-15)30(26,27)23-9-11-28-12-10-23/h2-8,13-14H,9-12H2,1H3,(H,22,24)/t14-/m0/s1