sodium 2-[[2-[(4-dimethylaminophenyl)methyl]-3-sulfanyl-propanoyl]amino]ethanesulfonate

Systemtic Name: sodium 2-[[2-[(4-dimethylaminophenyl)methyl]-3-sulfanyl-propanoyl]amino]ethanesulfonate Openeye Name: sodium 2-[[2-[(4-dimethylaminophenyl)methyl]-3-sulfanyl-propanoyl]amino]ethanesulfonate CAS Name: sodium 2-[[2-[(4-dimethylaminophenyl)methyl]-3-mercapto-1-oxopropyl]amino]ethanesulfonate IUPAC Name: sodium 2-[[2-[(4-dimethylaminophenyl)methyl]-3-sulfanylpropanoyl]amino]ethanesulfonate Traditional Name: sodium 2-[[2-[4-(dimethylamino)benzyl]-3-mercapto-propanoyl]amino]ethanesulfonate Formula: C14H21N2NaO4S2 MolecularWeight: 368.44731

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CC(CS)C(=O)NCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CC(CS)C(=O)NCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H22N2O4S2.Na/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);/q;+1/p-1