N-[2-(3,4-dimethoxyphenyl)ethyl]-3-sulfanyl-propane-1-sulfonamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-sulfanyl-propane-1-sulfonamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-sulfanyl-propane-1-sulfonamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-mercapto-1-propanesulfonamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-sulfanylpropane-1-sulfonamide Traditional Name: N-homoveratryl-3-mercapto-propane-1-sulfonamide Formula: C13H21NO4S2 MolecularWeight: 319.44014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNS(=O)(=O)CCCS)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNS(=O)(=O)CCCS)OC

InChI

InChI=1S/C13H21NO4S2/c1-17-12-5-4-11(10-13(12)18-2)6-7-14-20(15,16)9-3-8-19/h4-5,10,14,19H,3,6-9H2,1-2H3