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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)O.CC(C(=O)N)NCCS

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)O.CC(C(=O)N)NCCS

InChI

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