4-[[2-(pyridin-3-ylmethyl)-3-sulfanyl-propanoyl]amino]benzenesulfonic acid

Systemtic Name: 4-[[2-(pyridin-3-ylmethyl)-3-sulfanyl-propanoyl]amino]benzenesulfonic acid Openeye Name: 4-[[2-(3-pyridylmethyl)-3-sulfanyl-propanoyl]amino]benzenesulfonic acid CAS Name: 4-[[2-(mercaptomethyl)-1-oxo-3-(3-pyridinyl)propyl]amino]benzenesulfonic acid IUPAC Name: 4-[[2-(pyridin-3-ylmethyl)-3-sulfanylpropanoyl]amino]benzenesulfonic acid Traditional Name: 4-[[2-(mercaptomethyl)-3-(3-pyridyl)propanoyl]amino]besylic acid Formula: C15H16N2O4S2 MolecularWeight: 352.42854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC(CS)C(=O)NC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CC(CS)C(=O)NC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C15H16N2O4S2/c18-15(12(10-22)8-11-2-1-7-16-9-11)17-13-3-5-14(6-4-13)23(19,20)21/h1-7,9,12,22H,8,10H2,(H,17,18)(H,19,20,21)