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

Systemtic Name: 3-cyanopropyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: 3-cyanopropyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-(brosylamino)-3-methyl-butyric acid 3-cyanopropyl ester Formula: C15H19BrN2O4S MolecularWeight: 403.29136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCCCC#N)NS(=O)(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

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

InChI

InChI=1S/C15H19BrN2O4S/c1-11(2)14(15(19)22-10-4-3-9-17)18-23(20,21)13-7-5-12(16)6-8-13/h5-8,11,14,18H,3-4,10H2,1-2H3/t14-/m0/s1