ethyl 3-chloranyl-4-[2-[methylsulfonyl-(4-phenoxyphenyl)amino]propanoylamino]benzoate

Systemtic Name: ethyl 3-chloranyl-4-[2-[methylsulfonyl-(4-phenoxyphenyl)amino]propanoylamino]benzoate Openeye Name: ethyl 3-chloro-4-[2-(N-methylsulfonyl-4-phenoxy-anilino)propanoylamino]benzoate CAS Name: 3-chloro-4-[[2-(N-methylsulfonyl-4-phenoxyanilino)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[2-(N-methylsulfonyl-4-phenoxyanilino)propanoylamino]benzoate Traditional Name: 3-chloro-4-[2-(N-mesyl-4-phenoxy-anilino)propanoylamino]benzoic acid ethyl ester Formula: C25H25ClN2O6S MolecularWeight: 516.9938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C(C)N(C2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C(C)N(C2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C25H25ClN2O6S/c1-4-33-25(30)18-10-15-23(22(26)16-18)27-24(29)17(2)28(35(3,31)32)19-11-13-21(14-12-19)34-20-8-6-5-7-9-20/h5-17H,4H2,1-3H3,(H,27,29)