(3-azanyl-3-oxidanylidene-propyl) (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: (3-azanyl-3-oxidanylidene-propyl) (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: (3-amino-3-oxo-propyl) (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoic acid (3-amino-3-oxopropyl) ester IUPAC Name: (3-amino-3-oxopropyl) (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-(brosylamino)-3-methyl-butyric acid (3-amino-3-keto-propyl) ester Formula: C14H19BrN2O5S MolecularWeight: 407.28006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCCC(=O)N)NS(=O)(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)OCCC(=O)N)NS(=O)(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C14H19BrN2O5S/c1-9(2)13(14(19)22-8-7-12(16)18)17-23(20,21)11-5-3-10(15)4-6-11/h3-6,9,13,17H,7-8H2,1-2H3,(H2,16,18)/t13-/m0/s1