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

Systemtic Name: ethyl 3-chloranyl-4-[2-[(2-methoxyphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 3-chloro-4-[[2-[2-methoxy-N-(p-tolylsulfonyl)anilino]acetyl]amino]benzoate CAS Name: 3-chloro-4-[[2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[[2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-chloro-4-[[2-(2-methoxy-N-tosyl-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C25H25ClN2O6S MolecularWeight: 516.9938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC=CC=C2OC)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=C2OC)S(=O)(=O)C3=CC=C(C=C3)C)Cl

InChI

InChI=1S/C25H25ClN2O6S/c1-4-34-25(30)18-11-14-21(20(26)15-18)27-24(29)16-28(22-7-5-6-8-23(22)33-3)35(31,32)19-12-9-17(2)10-13-19/h5-15H,4,16H2,1-3H3,(H,27,29)