2-[[2-[(4-dimethylaminophenyl)methyl]-3-sulfanyl-propanoyl]amino]ethanesulfonic acid

Systemtic Name: 2-[[2-[(4-dimethylaminophenyl)methyl]-3-sulfanyl-propanoyl]amino]ethanesulfonic acid Openeye Name: 2-[[2-[(4-dimethylaminophenyl)methyl]-3-sulfanyl-propanoyl]amino]ethanesulfonic acid CAS Name: 2-[[2-[(4-dimethylaminophenyl)methyl]-3-mercapto-1-oxopropyl]amino]ethanesulfonic acid IUPAC Name: 2-[[2-[(4-dimethylaminophenyl)methyl]-3-sulfanylpropanoyl]amino]ethanesulfonic acid Traditional Name: 2-[[2-[4-(dimethylamino)benzyl]-3-mercapto-propanoyl]amino]ethanesulfonic acid Formula: C14H22N2O4S2 MolecularWeight: 346.46548

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CC(CS)C(=O)NCCS(=O)(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CC(CS)C(=O)NCCS(=O)(=O)O

InChI

InChI=1S/C14H22N2O4S2/c1-16(2)13-5-3-11(4-6-13)9-12(10-21)14(17)15-7-8-22(18,19)20/h3-6,12,21H,7-10H2,1-2H3,(H,15,17)(H,18,19,20)