ethyl 3-[[1-(4-methylphenyl)sulfonylpyrrol-3-yl]carbonyl-methylsulfonyl-amino]benzoate

Systemtic Name: ethyl 3-[[1-(4-methylphenyl)sulfonylpyrrol-3-yl]carbonyl-methylsulfonyl-amino]benzoate Openeye Name: ethyl 3-[methylsulfonyl-[1-(p-tolylsulfonyl)pyrrole-3-carbonyl]amino]benzoate CAS Name: 3-[[[1-(4-methylphenyl)sulfonyl-3-pyrrolyl]-oxomethyl]-methylsulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]-methylsulfonylamino]benzoate Traditional Name: 3-[mesyl-(1-tosylpyrrole-3-carbonyl)amino]benzoic acid ethyl ester Formula: C22H22N2O7S2 MolecularWeight: 490.54928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O7S2/c1-4-31-22(26)17-6-5-7-19(14-17)24(32(3,27)28)21(25)18-12-13-23(15-18)33(29,30)20-10-8-16(2)9-11-20/h5-15H,4H2,1-3H3