2-[(2-azanyl-4-methyl-pentanoyl)amino]benzenesulfonate

Systemtic Name: 2-[(2-azanyl-4-methyl-pentanoyl)amino]benzenesulfonate Openeye Name: 2-[(2-amino-4-methyl-pentanoyl)amino]benzenesulfonate CAS Name: 2-[(2-amino-4-methyl-1-oxopentyl)amino]benzenesulfonate IUPAC Name: 2-[(2-amino-4-methylpentanoyl)amino]benzenesulfonate Traditional Name: 2-[(2-amino-4-methyl-pentanoyl)amino]besylate Formula: C12H17N2O4S- MolecularWeight: 285.33938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=CC=CC=C1S(=O)(=O)[O-])N

Isomeric SMILES

CC(C)CC(C(=O)NC1=CC=CC=C1S(=O)(=O)[O-])N

InChI

InChI=1S/C12H18N2O4S/c1-8(2)7-9(13)12(15)14-10-5-3-4-6-11(10)19(16,17)18/h3-6,8-9H,7,13H2,1-2H3,(H,14,15)(H,16,17,18)/p-1