(1-cyanoindolizin-2-yl)methyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-(brosylamino)-3-methyl-butyric acid (1-cyanoindolizin-2-yl)methyl ester Formula: C21H20BrN3O4S MolecularWeight: 490.3702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CN2C=CC=CC2=C1C#N)NS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CN2C=CC=CC2=C1C#N)NS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H20BrN3O4S/c1-14(2)20(24-30(27,28)17-8-6-16(22)7-9-17)21(26)29-13-15-12-25-10-4-3-5-19(25)18(15)11-23/h3-10,12,14,20,24H,13H2,1-2H3/t20-/m0/s1