2-[2-[(5-chloranyl-2-methoxy-phenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoic acid

Systemtic Name: 2-[2-[(5-chloranyl-2-methoxy-phenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoic acid Openeye Name: 2-[[2-[5-chloro-2-methoxy-N-(p-tolylsulfonyl)anilino]acetyl]amino]benzoic acid CAS Name: 2-[[2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoic acid Traditional Name: 2-[[2-(5-chloro-2-methoxy-N-tosyl-anilino)acetyl]amino]benzoic acid Formula: C23H21ClN2O6S MolecularWeight: 488.94064

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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)OC

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)OC

InChI

InChI=1S/C23H21ClN2O6S/c1-15-7-10-17(11-8-15)33(30,31)26(20-13-16(24)9-12-21(20)32-2)14-22(27)25-19-6-4-3-5-18(19)23(28)29/h3-13H,14H2,1-2H3,(H,25,27)(H,28,29)