ethyl 4-[2-[(3-chloranyl-2-methyl-phenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(3-chloranyl-2-methyl-phenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-chloro-2-methyl-N-(p-tolylsulfonyl)anilino]acetyl]amino]benzoate CAS Name: 4-[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-chloro-2-methyl-N-tosyl-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C25H25ClN2O5S MolecularWeight: 500.9944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C2=C(C(=CC=C2)Cl)C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C2=C(C(=CC=C2)Cl)C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H25ClN2O5S/c1-4-33-25(30)19-10-12-20(13-11-19)27-24(29)16-28(23-7-5-6-22(26)18(23)3)34(31,32)21-14-8-17(2)9-15-21/h5-15H,4,16H2,1-3H3,(H,27,29)