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

Systemtic Name: propyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: propyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoic acid propyl ester IUPAC Name: propyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-(brosylamino)-3-methyl-butyric acid propyl ester Formula: C14H20BrNO4S MolecularWeight: 378.2819

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(C(C)C)NS(=O)(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

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

InChI

InChI=1S/C14H20BrNO4S/c1-4-9-20-14(17)13(10(2)3)16-21(18,19)12-7-5-11(15)6-8-12/h5-8,10,13,16H,4,9H2,1-3H3/t13-/m0/s1