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

Systemtic Name: methyl 4-methyl-3-[2-[methylsulfonyl-(4-propan-2-ylphenyl)amino]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(4-isopropyl-N-methylsulfonyl-anilino)acetyl]amino]-4-methyl-benzoate CAS Name: 4-methyl-3-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(4-isopropyl-N-mesyl-anilino)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C2=CC=C(C=C2)C(C)C)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C2=CC=C(C=C2)C(C)C)S(=O)(=O)C

InChI

InChI=1S/C21H26N2O5S/c1-14(2)16-8-10-18(11-9-16)23(29(5,26)27)13-20(24)22-19-12-17(21(25)28-4)7-6-15(19)3/h6-12,14H,13H2,1-5H3,(H,22,24)