4-chloranyl-2-[2-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]phenoxy]ethanoylamino]benzoate

Systemtic Name: 4-chloranyl-2-[2-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]phenoxy]ethanoylamino]benzoate Openeye Name: 4-chloro-2-[[2-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]phenoxy]acetyl]amino]benzoate CAS Name: 4-chloro-2-[[2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-1-oxoethyl]amino]benzoate IUPAC Name: 4-chloro-2-[[2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]acetyl]amino]benzoate Traditional Name: 4-chloro-2-[[2-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]phenoxy]acetyl]amino]benzoate Formula: C22H17ClFN2O6S- MolecularWeight: 491.896583

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)Cl)C(=O)[O-])S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN(C1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)Cl)C(=O)[O-])S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H18ClFN2O6S/c1-26(33(30,31)18-9-3-15(24)4-10-18)16-5-7-17(8-6-16)32-13-21(27)25-20-12-14(23)2-11-19(20)22(28)29/h2-12H,13H2,1H3,(H,25,27)(H,28,29)/p-1