[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-(4-bromoanilino)-2-oxo-ethyl] (2R)-2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: (2R)-2-(benzenesulfonamido)-3-methylbutanoic acid [2-(4-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromoanilino)-2-oxoethyl] (2R)-2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: (2R)-2-(benzenesulfonamido)-3-methyl-butyric acid [2-(4-bromoanilino)-2-keto-ethyl] ester Formula: C19H21BrN2O5S MolecularWeight: 469.34944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC=C(C=C1)Br)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)NC1=CC=C(C=C1)Br)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H21BrN2O5S/c1-13(2)18(22-28(25,26)16-6-4-3-5-7-16)19(24)27-12-17(23)21-15-10-8-14(20)9-11-15/h3-11,13,18,22H,12H2,1-2H3,(H,21,23)/t18-/m1/s1