methyl 2-[(4-azanyl-2-cyano-phenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: methyl 2-[(4-azanyl-2-cyano-phenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: methyl 2-[(4-amino-2-cyano-phenyl)sulfonylamino]-3-methyl-butanoate CAS Name: 2-[(4-amino-2-cyanophenyl)sulfonylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[(4-amino-2-cyanophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: 2-[(4-amino-2-cyano-phenyl)sulfonylamino]-3-methyl-butyric acid methyl ester Formula: C13H17N3O4S MolecularWeight: 311.35678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NS(=O)(=O)C1=C(C=C(C=C1)N)C#N

Isomeric SMILES

CC(C)C(C(=O)OC)NS(=O)(=O)C1=C(C=C(C=C1)N)C#N

InChI

InChI=1S/C13H17N3O4S/c1-8(2)12(13(17)20-3)16-21(18,19)11-5-4-10(15)6-9(11)7-14/h4-6,8,12,16H,15H2,1-3H3