methyl (2S)-2-[(4-bromophenyl)carbonylamino]-3,3-dimethyl-4-(methylsulfonimidoyl)butanoate

Systemtic Name: methyl (2S)-2-[(4-bromophenyl)carbonylamino]-3,3-dimethyl-4-(methylsulfonimidoyl)butanoate Openeye Name: methyl (2S)-2-[(4-bromobenzoyl)amino]-3,3-dimethyl-4-(methylsulfonimidoyl)butanoate CAS Name: (2S)-2-[[(4-bromophenyl)-oxomethyl]amino]-3,3-dimethyl-4-(methylsulfonimidoyl)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-bromobenzoyl)amino]-3,3-dimethyl-4-(methylsulfonimidoyl)butanoate Traditional Name: (2S)-2-[(4-bromobenzoyl)amino]-3,3-dimethyl-4-(methylsulfonimidoyl)butyric acid methyl ester Formula: C15H21BrN2O4S MolecularWeight: 405.30724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CS(=N)(=O)C)C(C(=O)OC)NC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CC(C)(C[S@](=N)(=O)C)[C@@H](C(=O)OC)NC(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C15H21BrN2O4S/c1-15(2,9-23(4,17)21)12(14(20)22-3)18-13(19)10-5-7-11(16)8-6-10/h5-8,12,17H,9H2,1-4H3,(H,18,19)/t12-,23-/m1/s1