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

Systemtic Name: methyl 2-methyl-3-[2-[methylsulfonyl-(4-phenylmethoxyphenyl)amino]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(4-benzyloxy-N-methylsulfonyl-anilino)acetyl]amino]-2-methyl-benzoate CAS Name: 2-methyl-3-[[2-(N-methylsulfonyl-4-phenylmethoxyanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-methyl-3-[[2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(4-benzoxy-N-mesyl-anilino)acetyl]amino]-2-methyl-benzoic acid methyl ester Formula: C25H26N2O6S MolecularWeight: 482.54874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)CN(C2=CC=C(C=C2)OCC3=CC=CC=C3)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)CN(C2=CC=C(C=C2)OCC3=CC=CC=C3)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C25H26N2O6S/c1-18-22(25(29)32-2)10-7-11-23(18)26-24(28)16-27(34(3,30)31)20-12-14-21(15-13-20)33-17-19-8-5-4-6-9-19/h4-15H,16-17H2,1-3H3,(H,26,28)