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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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