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

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

Isomeric SMILES

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

InChI

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