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

Systemtic Name: 2-[2-[(4-chlorophenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoic acid Openeye Name: 2-[[2-[4-chloro-N-(p-tolylsulfonyl)anilino]acetyl]amino]benzoic acid CAS Name: 2-[[2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoic acid Traditional Name: 2-[[2-(4-chloro-N-tosyl-anilino)acetyl]amino]benzoic acid Formula: C22H19ClN2O5S MolecularWeight: 458.91466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC=C2C(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC=C2C(=O)O)C3=CC=C(C=C3)Cl

InChI

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