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

Systemtic Name: ethyl 3-chloranyl-4-[2-[methylsulfonyl-(4-propan-2-yloxyphenyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 3-chloro-4-[[2-(4-isopropoxy-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 3-chloro-4-[[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetyl]amino]benzoate Traditional Name: 3-chloro-4-[[2-(4-isopropoxy-N-mesyl-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C21H25ClN2O6S MolecularWeight: 468.951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O6S/c1-5-29-21(26)15-6-11-19(18(22)12-15)23-20(25)13-24(31(4,27)28)16-7-9-17(10-8-16)30-14(2)3/h6-12,14H,5,13H2,1-4H3,(H,23,25)