2-cyano-3-[(4-methylphenyl)sulfonylamino]propanoate; dicyclohexylazanium

Systemtic Name: 2-cyano-3-[(4-methylphenyl)sulfonylamino]propanoate; dicyclohexylazanium Openeye Name: 2-cyano-3-(p-tolylsulfonylamino)propanoate; dicyclohexylammonium CAS Name: 2-cyano-3-[(4-methylphenyl)sulfonylamino]propanoate; dicyclohexylammonium IUPAC Name: 2-cyano-3-[(4-methylphenyl)sulfonylamino]propanoate; dicyclohexylazanium Traditional Name: 2-cyano-3-(tosylamino)propionate; dicyclohexylammonium Formula: C23H35N3O4S MolecularWeight: 449.6067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(C#N)C(=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(C#N)C(=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C12H23N.C11H12N2O4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-8-2-4-10(5-3-8)18(16,17)13-7-9(6-12)11(14)15/h11-13H,1-10H2;2-5,9,13H,7H2,1H3,(H,14,15)