4-[2-[(3-chloranyl-4-methyl-phenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[(3-chloranyl-4-methyl-phenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[N-(benzenesulfonyl)-3-chloro-4-methyl-anilino]acetyl]amino]benzoic acid CAS Name: 4-[[2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]acetyl]amino]benzoic acid Traditional Name: 4-[[2-(N-besyl-3-chloro-4-methyl-anilino)acetyl]amino]benzoic acid Formula: C22H19ClN2O5S MolecularWeight: 458.91466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3)Cl

InChI

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