ethyl 3-methyl-4-[2-[methylsulfonyl-(4-phenylmethoxyphenyl)amino]ethanoylamino]benzoate

Systemtic Name: ethyl 3-methyl-4-[2-[methylsulfonyl-(4-phenylmethoxyphenyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(4-benzyloxy-N-methylsulfonyl-anilino)acetyl]amino]-3-methyl-benzoate CAS Name: 3-methyl-4-[[2-(N-methylsulfonyl-4-phenylmethoxyanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-methyl-4-[[2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-benzoxy-N-mesyl-anilino)acetyl]amino]-3-methyl-benzoic acid ethyl ester Formula: C26H28N2O6S MolecularWeight: 496.57532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O6S/c1-4-33-26(30)21-10-15-24(19(2)16-21)27-25(29)17-28(35(3,31)32)22-11-13-23(14-12-22)34-18-20-8-6-5-7-9-20/h5-16H,4,17-18H2,1-3H3,(H,27,29)