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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N(CC(=O)NC2=C(C=C(C=C2)C(=O)OCC)Cl)S(=O)(=O)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)N(CC(=O)NC2=C(C=C(C=C2)C(=O)OCC)Cl)S(=O)(=O)C

InChI

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