ethyl 2-chloranyl-5-[2-[methylsulfonyl-(4-phenylmethoxyphenyl)amino]ethanoylamino]benzoate

Systemtic Name: ethyl 2-chloranyl-5-[2-[methylsulfonyl-(4-phenylmethoxyphenyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 5-[[2-(4-benzyloxy-N-methylsulfonyl-anilino)acetyl]amino]-2-chloro-benzoate CAS Name: 2-chloro-5-[[2-(N-methylsulfonyl-4-phenylmethoxyanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-5-[[2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetyl]amino]benzoate Traditional Name: 5-[[2-(4-benzoxy-N-mesyl-anilino)acetyl]amino]-2-chloro-benzoic acid ethyl ester Formula: C25H25ClN2O6S MolecularWeight: 516.9938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)NC(=O)CN(C2=CC=C(C=C2)OCC3=CC=CC=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)NC(=O)CN(C2=CC=C(C=C2)OCC3=CC=CC=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C25H25ClN2O6S/c1-3-33-25(30)22-15-19(9-14-23(22)26)27-24(29)16-28(35(2,31)32)20-10-12-21(13-11-20)34-17-18-7-5-4-6-8-18/h4-15H,3,16-17H2,1-2H3,(H,27,29)