2-[[4-[(4-chlorophenyl)methyl-methylsulfonyl-amino]phenyl]carbonylamino]benzoic acid

Systemtic Name: 2-[[4-[(4-chlorophenyl)methyl-methylsulfonyl-amino]phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[4-[(4-chlorophenyl)methyl-methylsulfonyl-amino]benzoyl]amino]benzoic acid CAS Name: 2-[[[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzoyl]amino]benzoic acid Traditional Name: 2-[[4-[(4-chlorobenzyl)-mesyl-amino]benzoyl]amino]benzoic acid Formula: C22H19ClN2O5S MolecularWeight: 458.91466

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H19ClN2O5S/c1-31(29,30)25(14-15-6-10-17(23)11-7-15)18-12-8-16(9-13-18)21(26)24-20-5-3-2-4-19(20)22(27)28/h2-13H,14H2,1H3,(H,24,26)(H,27,28)