2-[2-[(3-chloranyl-2-methyl-phenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoic acid

Systemtic Name: 2-[2-[(3-chloranyl-2-methyl-phenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoic acid Openeye Name: 2-[[2-[N-(benzenesulfonyl)-3-chloro-2-methyl-anilino]acetyl]amino]benzoic acid CAS Name: 2-[[2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]acetyl]amino]benzoic acid Traditional Name: 2-[[2-(N-besyl-3-chloro-2-methyl-anilino)acetyl]amino]benzoic acid Formula: C22H19ClN2O5S MolecularWeight: 458.91466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N(CC(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)N(CC(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

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