ethyl 2-methyl-3-[[2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]phenyl]carbonylamino]benzoate

Systemtic Name: ethyl 2-methyl-3-[[2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]phenyl]carbonylamino]benzoate Openeye Name: ethyl 3-[[2-[benzyl(p-tolylsulfonyl)amino]benzoyl]amino]-2-methyl-benzoate CAS Name: 2-methyl-3-[[[2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[benzyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]-2-methylbenzoate Traditional Name: 3-[[2-[benzyl(tosyl)amino]benzoyl]amino]-2-methyl-benzoic acid ethyl ester Formula: C31H30N2O5S MolecularWeight: 542.6453

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC=C1)NC(=O)C2=CC=CC=C2N(CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CC=C1)NC(=O)C2=CC=CC=C2N(CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C31H30N2O5S/c1-4-38-31(35)26-14-10-15-28(23(26)3)32-30(34)27-13-8-9-16-29(27)33(21-24-11-6-5-7-12-24)39(36,37)25-19-17-22(2)18-20-25/h5-20H,4,21H2,1-3H3,(H,32,34)