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

Systemtic Name: ethyl 3-chloranyl-4-[2-[(3-methylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 3-chloro-4-[[2-[3-methyl-N-(p-tolylsulfonyl)anilino]acetyl]amino]benzoate CAS Name: 3-chloro-4-[[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-chloro-4-[[2-(3-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=CC=CC(=C2)C)S(=O)(=O)C3=CC=C(C=C3)C)Cl

Isomeric SMILES

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

InChI

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