2-[2-[4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenoxy]ethanoylamino]benzoic acid

Systemtic Name: 2-[2-[4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenoxy]ethanoylamino]benzoic acid Openeye Name: 2-[[2-[4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenoxy]acetyl]amino]benzoic acid CAS Name: 2-[[2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetyl]amino]benzoic acid Traditional Name: 2-[[2-[4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenoxy]acetyl]amino]benzoic acid Formula: C22H19ClN2O6S MolecularWeight: 474.91406

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN(C1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H19ClN2O6S/c1-25(32(29,30)18-12-6-15(23)7-13-18)16-8-10-17(11-9-16)31-14-21(26)24-20-5-3-2-4-19(20)22(27)28/h2-13H,14H2,1H3,(H,24,26)(H,27,28)