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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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