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

Systemtic Name: ethyl 4-methyl-3-[2-[(3-methylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 4-methyl-3-[[2-[3-methyl-N-(p-tolylsulfonyl)anilino]acetyl]amino]benzoate CAS Name: 4-methyl-3-[[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-methyl-3-[[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-(3-methyl-N-tosyl-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C26H28N2O5S MolecularWeight: 480.57592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O5S/c1-5-33-26(30)21-12-11-20(4)24(16-21)27-25(29)17-28(22-8-6-7-19(3)15-22)34(31,32)23-13-9-18(2)10-14-23/h6-16H,5,17H2,1-4H3,(H,27,29)