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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NOS(=O)(=O)C1=CC=CC=C1)N

Isomeric SMILES

CC(C)CC(C(=O)NOS(=O)(=O)C1=CC=CC=C1)N

InChI

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