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

Systemtic Name: 4-[[2-[(4-fluorophenyl)methyl]-3-sulfanyl-propanoyl]amino]benzenesulfonic acid Openeye Name: 4-[[2-[(4-fluorophenyl)methyl]-3-sulfanyl-propanoyl]amino]benzenesulfonic acid CAS Name: 4-[[2-[(4-fluorophenyl)methyl]-3-mercapto-1-oxopropyl]amino]benzenesulfonic acid IUPAC Name: 4-[[2-[(4-fluorophenyl)methyl]-3-sulfanylpropanoyl]amino]benzenesulfonic acid Traditional Name: 4-[[2-(4-fluorobenzyl)-3-mercapto-propanoyl]amino]besylic acid Formula: C16H16FNO4S2 MolecularWeight: 369.430943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CS)C(=O)NC2=CC=C(C=C2)S(=O)(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1CC(CS)C(=O)NC2=CC=C(C=C2)S(=O)(=O)O)F

InChI

InChI=1S/C16H16FNO4S2/c17-13-3-1-11(2-4-13)9-12(10-23)16(19)18-14-5-7-15(8-6-14)24(20,21)22/h1-8,12,23H,9-10H2,(H,18,19)(H,20,21,22)