methyl 2-chloranyl-5-[2-[(4-methylphenyl)sulfonyl-(4-phenoxyphenyl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[2-[(4-methylphenyl)sulfonyl-(4-phenoxyphenyl)amino]ethanoylamino]benzoate Openeye Name: methyl 2-chloro-5-[[2-[4-phenoxy-N-(p-tolylsulfonyl)anilino]acetyl]amino]benzoate CAS Name: 2-chloro-5-[[2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[[2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetyl]amino]benzoate Traditional Name: 2-chloro-5-[[2-(4-phenoxy-N-tosyl-anilino)acetyl]amino]benzoic acid methyl ester Formula: C29H25ClN2O6S MolecularWeight: 565.0366

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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)Cl)C(=O)OC)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C29H25ClN2O6S/c1-20-8-15-25(16-9-20)39(35,36)32(22-11-13-24(14-12-22)38-23-6-4-3-5-7-23)19-28(33)31-21-10-17-27(30)26(18-21)29(34)37-2/h3-18H,19H2,1-2H3,(H,31,33)