3-ethylsulfanyl-2-[[4-(4-fluorophenyl)phenyl]sulfonylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-ethylsulfanyl-2-[[4-(4-fluorophenyl)phenyl]sulfonylamino]-3-phenyl-propanoic acid Openeye Name: 3-ethylsulfanyl-2-[[4-(4-fluorophenyl)phenyl]sulfonylamino]-3-phenyl-propanoic acid CAS Name: 3-(ethylthio)-2-[[4-(4-fluorophenyl)phenyl]sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 3-ethylsulfanyl-2-[[4-(4-fluorophenyl)phenyl]sulfonylamino]-3-phenylpropanoic acid Traditional Name: 3-(ethylthio)-2-[[4-(4-fluorophenyl)phenyl]sulfonylamino]-3-phenyl-propionic acid Formula: C23H22FNO4S2 MolecularWeight: 459.553483

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C1=CC=CC=C1)C(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CCSC(C1=CC=CC=C1)C(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H22FNO4S2/c1-2-30-22(18-6-4-3-5-7-18)21(23(26)27)25-31(28,29)20-14-10-17(11-15-20)16-8-12-19(24)13-9-16/h3-15,21-22,25H,2H2,1H3,(H,26,27)