methyl 4,5-dimethoxy-2-[2-[methylsulfonyl-(2-propan-2-ylphenyl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[2-[methylsulfonyl-(2-propan-2-ylphenyl)amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-(2-isopropyl-N-methylsulfonyl-anilino)acetyl]amino]-4,5-dimethoxy-benzoate CAS Name: 4,5-dimethoxy-2-[[2-(N-methylsulfonyl-2-propan-2-ylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]amino]benzoate Traditional Name: 2-[[2-(2-isopropyl-N-mesyl-anilino)acetyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C22H28N2O7S MolecularWeight: 464.53192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N(CC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC)S(=O)(=O)C

Isomeric SMILES

CC(C)C1=CC=CC=C1N(CC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC)S(=O)(=O)C

InChI

InChI=1S/C22H28N2O7S/c1-14(2)15-9-7-8-10-18(15)24(32(6,27)28)13-21(25)23-17-12-20(30-4)19(29-3)11-16(17)22(26)31-5/h7-12,14H,13H2,1-6H3,(H,23,25)