ethyl 2-chloranyl-4-[2-[(4-ethoxyphenyl)sulfonyl-(4-methylphenyl)amino]ethanoylamino]benzoate

Systemtic Name: ethyl 2-chloranyl-4-[2-[(4-ethoxyphenyl)sulfonyl-(4-methylphenyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 2-chloro-4-[[2-(N-(4-ethoxyphenyl)sulfonyl-4-methyl-anilino)acetyl]amino]benzoate CAS Name: 2-chloro-4-[[2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-4-[[2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetyl]amino]benzoate Traditional Name: 2-chloro-4-[[2-(4-methyl-N-p-phenetylsulfonyl-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C26H27ClN2O6S MolecularWeight: 531.02038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC(=C(C=C2)C(=O)OCC)Cl)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC(=C(C=C2)C(=O)OCC)Cl)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H27ClN2O6S/c1-4-34-21-11-13-22(14-12-21)36(32,33)29(20-9-6-18(3)7-10-20)17-25(30)28-19-8-15-23(24(27)16-19)26(31)35-5-2/h6-16H,4-5,17H2,1-3H3,(H,28,30)