2-[(2-azanyl-4-methyl-pentanoyl)amino]benzenesulfonic acid

Systemtic Name: 2-[(2-azanyl-4-methyl-pentanoyl)amino]benzenesulfonic acid Openeye Name: 2-[(2-amino-4-methyl-pentanoyl)amino]benzenesulfonic acid CAS Name: 2-[(2-amino-4-methyl-1-oxopentyl)amino]benzenesulfonic acid IUPAC Name: 2-[(2-amino-4-methylpentanoyl)amino]benzenesulfonic acid Traditional Name: 2-[(2-amino-4-methyl-pentanoyl)amino]besylic acid Formula: C12H18N2O4S MolecularWeight: 286.34732

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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)