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

Systemtic Name: ethyl 3-[2-[(3-chloranyl-4-methoxy-phenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[3-chloro-4-methoxy-N-(p-tolylsulfonyl)anilino]acetyl]amino]benzoate CAS Name: 3-[[2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(3-chloro-4-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(=CC=C1)NC(=O)CN(C2=CC(=C(C=C2)OC)Cl)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

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

InChI

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