6-[(4-aminophenyl)sulfonylamino]hexanoic acid; 4-methylbenzenesulfonic acid

Systemtic Name: 6-[(4-aminophenyl)sulfonylamino]hexanoic acid; 4-methylbenzenesulfonic acid Openeye Name: 6-[(4-aminophenyl)sulfonylamino]hexanoic acid; 4-methylbenzenesulfonic acid CAS Name: 6-[(4-aminophenyl)sulfonylamino]hexanoic acid; 4-methylbenzenesulfonic acid IUPAC Name: 6-[(4-aminophenyl)sulfonylamino]hexanoic acid; 4-methylbenzenesulfonic acid Traditional Name: 6-(sulfanilylamino)hexanoic acid; tosylic acid Formula: C19H26N2O7S2 MolecularWeight: 458.54894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC=C1N)S(=O)(=O)NCCCCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC=C1N)S(=O)(=O)NCCCCCC(=O)O

InChI

InChI=1S/C12H18N2O4S.C7H8O3S/c13-10-5-7-11(8-6-10)19(17,18)14-9-3-1-2-4-12(15)16;1-6-2-4-7(5-3-6)11(8,9)10/h5-8,14H,1-4,9,13H2,(H,15,16);2-5H,1H3,(H,8,9,10)