2-azanyl-N-(cyanomethyl)-4-methyl-pentanamide; 4-methylbenzenesulfonic acid

Systemtic Name: 2-azanyl-N-(cyanomethyl)-4-methyl-pentanamide; 4-methylbenzenesulfonic acid Openeye Name: 2-amino-N-(cyanomethyl)-4-methyl-pentanamide; 4-methylbenzenesulfonic acid CAS Name: 2-amino-N-(cyanomethyl)-4-methylpentanamide; 4-methylbenzenesulfonic acid IUPAC Name: 2-amino-N-(cyanomethyl)-4-methylpentanamide; 4-methylbenzenesulfonic acid Traditional Name: 2-amino-N-(cyanomethyl)-4-methyl-valeramide; tosylic acid Formula: C15H23N3O4S MolecularWeight: 341.42582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)CC(C(=O)NCC#N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)CC(C(=O)NCC#N)N

InChI

InChI=1S/C8H15N3O.C7H8O3S/c1-6(2)5-7(10)8(12)11-4-3-9;1-6-2-4-7(5-3-6)11(8,9)10/h6-7H,4-5,10H2,1-2H3,(H,11,12);2-5H,1H3,(H,8,9,10)