S-[2-[(phenylmethyl)amino]ethyl] 2-methylsulfonylethanethioate hydrochloride

Systemtic Name: S-[2-[(phenylmethyl)amino]ethyl] 2-methylsulfonylethanethioate hydrochloride Openeye Name: S-[2-(benzylamino)ethyl] 2-methylsulfonylethanethioate hydrochloride CAS Name: 2-methylsulfonylethanethioic acid S-[2-[(phenylmethyl)amino]ethyl] ester hydrochloride IUPAC Name: S-[2-(benzylamino)ethyl] 2-methylsulfonylethanethioate hydrochloride Traditional Name: 2-mesylethanethioic acid S-[2-(benzylamino)ethyl] ester hydrochloride Formula: C12H18ClNO3S2 MolecularWeight: 323.85922

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC(=O)SCCNCC1=CC=CC=C1.Cl

Isomeric SMILES

CS(=O)(=O)CC(=O)SCCNCC1=CC=CC=C1.Cl

InChI

InChI=1S/C12H17NO3S2.ClH/c1-18(15,16)10-12(14)17-8-7-13-9-11-5-3-2-4-6-11;/h2-6,13H,7-10H2,1H3;1H