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

Systemtic Name: 2-[2-[[3-chloranyl-2-methyl-4-(4-methylphenyl)sulfonyl-phenyl]amino]ethanoylamino]benzoic acid Openeye Name: 2-[[2-[3-chloro-2-methyl-4-(p-tolylsulfonyl)anilino]acetyl]amino]benzoic acid CAS Name: 2-[[2-[3-chloro-2-methyl-4-(4-methylphenyl)sulfonylanilino]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-[3-chloro-2-methyl-4-(4-methylphenyl)sulfonylanilino]acetyl]amino]benzoic acid Traditional Name: 2-[[2-(3-chloro-2-methyl-4-tosyl-anilino)acetyl]amino]benzoic acid Formula: C23H21ClN2O5S MolecularWeight: 472.94124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=C(C=C2)NCC(=O)NC3=CC=CC=C3C(=O)O)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=C(C=C2)NCC(=O)NC3=CC=CC=C3C(=O)O)C)Cl

InChI

InChI=1S/C23H21ClN2O5S/c1-14-7-9-16(10-8-14)32(30,31)20-12-11-18(15(2)22(20)24)25-13-21(27)26-19-6-4-3-5-17(19)23(28)29/h3-12,25H,13H2,1-2H3,(H,26,27)(H,28,29)