4-methylbenzenesulfonic acid; 3-(2-sulfanylethylamino)propanamide

Systemtic Name: 4-methylbenzenesulfonic acid; 3-(2-sulfanylethylamino)propanamide Openeye Name: 4-methylbenzenesulfonic acid; 3-(2-sulfanylethylamino)propanamide CAS Name: 3-(2-mercaptoethylamino)propanamide; 4-methylbenzenesulfonic acid IUPAC Name: 4-methylbenzenesulfonic acid; 3-(2-sulfanylethylamino)propanamide Traditional Name: 3-(2-mercaptoethylamino)propionamide; tosylic acid Formula: C12H20N2O4S2 MolecularWeight: 320.4282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C(CNCCS)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C(CNCCS)C(=O)N

InChI

InChI=1S/C7H8O3S.C5H12N2OS/c1-6-2-4-7(5-3-6)11(8,9)10;6-5(8)1-2-7-3-4-9/h2-5H,1H3,(H,8,9,10);7,9H,1-4H2,(H2,6,8)