4-[[(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-amino]methyl]benzoic acid

Systemtic Name: 4-[[(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-amino]methyl]benzoic acid Openeye Name: 4-[[(2-amino-2-oxo-1-phenyl-ethyl)-(3-chloro-4-fluoro-phenyl)sulfonyl-amino]methyl]benzoic acid CAS Name: 4-[[(2-amino-2-oxo-1-phenylethyl)-(3-chloro-4-fluorophenyl)sulfonylamino]methyl]benzoic acid IUPAC Name: 4-[[(2-amino-2-oxo-1-phenylethyl)-(3-chloro-4-fluorophenyl)sulfonylamino]methyl]benzoic acid Traditional Name: 4-[[(2-amino-2-keto-1-phenyl-ethyl)-(3-chloro-4-fluoro-phenyl)sulfonyl-amino]methyl]benzoic acid Formula: C22H18ClFN2O5S MolecularWeight: 476.905123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)N)N(CC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)N)N(CC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C22H18ClFN2O5S/c23-18-12-17(10-11-19(18)24)32(30,31)26(13-14-6-8-16(9-7-14)22(28)29)20(21(25)27)15-4-2-1-3-5-15/h1-12,20H,13H2,(H2,25,27)(H,28,29)