[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] (2S)-2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-3-methylbutanoic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-3-methyl-butyric acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C20H23BrN2O5S MolecularWeight: 483.37602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)C(C(C)C)NS(=O)(=O)C2=CC=CC=C2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)[C@H](C(C)C)NS(=O)(=O)C2=CC=CC=C2)Br

InChI

InChI=1S/C20H23BrN2O5S/c1-13(2)19(23-29(26,27)16-7-5-4-6-8-16)20(25)28-12-18(24)22-15-9-10-17(21)14(3)11-15/h4-11,13,19,23H,12H2,1-3H3,(H,22,24)/t19-/m0/s1