4-[[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]methyl]benzenesulfonic acid

Systemtic Name: 4-[[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]methyl]benzenesulfonic acid Openeye Name: 4-[[(2-benzyl-3-sulfanyl-propanoyl)amino]methyl]benzenesulfonic acid CAS Name: 4-[[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]methyl]benzenesulfonic acid IUPAC Name: 4-[[(2-benzyl-3-sulfanylpropanoyl)amino]methyl]benzenesulfonic acid Traditional Name: 4-[[(2-benzyl-3-mercapto-propanoyl)amino]methyl]besylic acid Formula: C17H19NO4S2 MolecularWeight: 365.46706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CS)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C17H19NO4S2/c19-17(15(12-23)10-13-4-2-1-3-5-13)18-11-14-6-8-16(9-7-14)24(20,21)22/h1-9,15,23H,10-12H2,(H,18,19)(H,20,21,22)