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

Systemtic Name: 4-[2-[(4-methylphenyl)sulfonyl-phenyl-amino]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[N-(p-tolylsulfonyl)anilino]acetyl]amino]benzoic acid CAS Name: 4-[[2-(N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoic acid Traditional Name: 4-[[2-(N-tosylanilino)acetyl]amino]benzoic acid Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O5S/c1-16-7-13-20(14-8-16)30(28,29)24(19-5-3-2-4-6-19)15-21(25)23-18-11-9-17(10-12-18)22(26)27/h2-14H,15H2,1H3,(H,23,25)(H,26,27)