2-[(4-fluorophenyl)sulfonyl-(phenylmethyl)amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[(4-fluorophenyl)sulfonyl-(phenylmethyl)amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[benzyl-(4-fluorophenyl)sulfonyl-amino]-3-sulfanyl-propanoic acid CAS Name: 2-[(4-fluorophenyl)sulfonyl-(phenylmethyl)amino]-3-mercaptopropanoic acid IUPAC Name: 2-[benzyl-(4-fluorophenyl)sulfonylamino]-3-sulfanylpropanoic acid Traditional Name: 2-[benzyl-(4-fluorophenyl)sulfonyl-amino]-3-mercapto-propionic acid Formula: C16H16FNO4S2 MolecularWeight: 369.430943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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