(3-cyanophenyl)methyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: (3-cyanophenyl)methyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: (3-cyanophenyl)methyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-(brosylamino)-3-methyl-butyric acid (3-cyanobenzyl) ester Formula: C19H19BrN2O4S MolecularWeight: 451.33416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC(=C1)C#N)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=CC(=C1)C#N)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C19H19BrN2O4S/c1-13(2)18(22-27(24,25)17-8-6-16(20)7-9-17)19(23)26-12-15-5-3-4-14(10-15)11-21/h3-10,13,18,22H,12H2,1-2H3/t18-/m0/s1