propanamide; (2-sulfanylethylamino) 4-methylbenzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N.CC1=CC=C(C=C1)S(=O)(=O)ONCCS

Isomeric SMILES

CCC(=O)N.CC1=CC=C(C=C1)S(=O)(=O)ONCCS

InChI

InChI=1S/C9H13NO3S2.C3H7NO/c1-8-2-4-9(5-3-8)15(11,12)13-10-6-7-14;1-2-3(4)5/h2-5,10,14H,6-7H2,1H3;2H2,1H3,(H2,4,5)