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

Systemtic Name: ethyl 3-chloranyl-4-[2-[methylsulfonyl-(2-propan-2-ylphenyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 3-chloro-4-[[2-(2-isopropyl-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 3-chloro-4-[[2-(N-methylsulfonyl-2-propan-2-ylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]amino]benzoate Traditional Name: 3-chloro-4-[[2-(2-isopropyl-N-mesyl-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC=CC=C2C(C)C)S(=O)(=O)C)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC=CC=C2C(C)C)S(=O)(=O)C)Cl

InChI

InChI=1S/C21H25ClN2O5S/c1-5-29-21(26)15-10-11-18(17(22)12-15)23-20(25)13-24(30(4,27)28)19-9-7-6-8-16(19)14(2)3/h6-12,14H,5,13H2,1-4H3,(H,23,25)