ethyl 3-methyl-4-[[4-[[(3-methylphenyl)-methylsulfonyl-amino]methyl]phenyl]carbonylamino]benzoate

Systemtic Name: ethyl 3-methyl-4-[[4-[[(3-methylphenyl)-methylsulfonyl-amino]methyl]phenyl]carbonylamino]benzoate Openeye Name: ethyl 3-methyl-4-[[4-[(3-methyl-N-methylsulfonyl-anilino)methyl]benzoyl]amino]benzoate CAS Name: 3-methyl-4-[[[4-[(3-methyl-N-methylsulfonylanilino)methyl]phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-methyl-4-[[4-[(3-methyl-N-methylsulfonylanilino)methyl]benzoyl]amino]benzoate Traditional Name: 4-[[4-[(N-mesyl-3-methyl-anilino)methyl]benzoyl]amino]-3-methyl-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)NC(=O)C2=CC=C(C=C2)CN(C3=CC=CC(=C3)C)S(=O)(=O)C)C

Isomeric SMILES

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

InChI

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