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

Systemtic Name: 4-[[(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)-(3-fluorophenyl)sulfonyl-amino]methyl]benzoic acid Openeye Name: 4-[[(2-amino-2-oxo-1-phenyl-ethyl)-(3-fluorophenyl)sulfonyl-amino]methyl]benzoic acid CAS Name: 4-[[(2-amino-2-oxo-1-phenylethyl)-(3-fluorophenyl)sulfonylamino]methyl]benzoic acid IUPAC Name: 4-[[(2-amino-2-oxo-1-phenylethyl)-(3-fluorophenyl)sulfonylamino]methyl]benzoic acid Traditional Name: 4-[[(2-amino-2-keto-1-phenyl-ethyl)-(3-fluorophenyl)sulfonyl-amino]methyl]benzoic acid Formula: C22H19FN2O5S MolecularWeight: 442.460063

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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=CC(=C3)F

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=CC(=C3)F

InChI

InChI=1S/C22H19FN2O5S/c23-18-7-4-8-19(13-18)31(29,30)25(14-15-9-11-17(12-10-15)22(27)28)20(21(24)26)16-5-2-1-3-6-16/h1-13,20H,14H2,(H2,24,26)(H,27,28)