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

Systemtic Name: 2-[2-[(3-chloranyl-2-methyl-phenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: 2-[[2-[3-chloro-2-methyl-N-(p-tolylsulfonyl)anilino]acetyl]amino]benzoate CAS Name: 2-[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]benzoate IUPAC Name: 2-[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoate Traditional Name: 2-[[2-(3-chloro-2-methyl-N-tosyl-anilino)acetyl]amino]benzoate Formula: C23H20ClN2O5S- MolecularWeight: 471.9333

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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=C(C(=CC=C3)Cl)C

Isomeric SMILES

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

InChI

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