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

Systemtic Name: methyl 4-chloranyl-3-[2-[methylsulfonyl-(4-propan-2-ylphenyl)amino]ethanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[[2-(4-isopropyl-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 4-chloro-3-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-(4-isopropyl-N-mesyl-anilino)acetyl]amino]benzoic acid methyl ester Formula: C20H23ClN2O5S MolecularWeight: 438.92502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)S(=O)(=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)S(=O)(=O)C

InChI

InChI=1S/C20H23ClN2O5S/c1-13(2)14-5-8-16(9-6-14)23(29(4,26)27)12-19(24)22-18-11-15(20(25)28-3)7-10-17(18)21/h5-11,13H,12H2,1-4H3,(H,22,24)