(2-sulfanylethylamino) 4-methylbenzenesulfonate

Systemtic Name: (2-sulfanylethylamino) 4-methylbenzenesulfonate Openeye Name: (2-sulfanylethylamino) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-mercaptoethylamino) ester IUPAC Name: (2-sulfanylethylamino) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-mercaptoethylamino) ester Formula: C9H13NO3S2 MolecularWeight: 247.33442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ONCCS

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ONCCS

InChI

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