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

Systemtic Name: methyl 3-[[4-[[methylsulfonyl(phenyl)amino]methyl]phenyl]carbonylamino]benzoate Openeye Name: methyl 3-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]benzoate CAS Name: 3-[[[4-[(N-methylsulfonylanilino)methyl]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]benzoate Traditional Name: 3-[[4-[(N-mesylanilino)methyl]benzoyl]amino]benzoic acid methyl ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O5S/c1-30-23(27)19-7-6-8-20(15-19)24-22(26)18-13-11-17(12-14-18)16-25(31(2,28)29)21-9-4-3-5-10-21/h3-15H,16H2,1-2H3,(H,24,26)