methyl 2-[(4-methylphenyl)sulfonylamino]-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]propanoate

Systemtic Name: methyl 2-[(4-methylphenyl)sulfonylamino]-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]propanoate Openeye Name: methyl 2-(p-tolylsulfonylamino)-3-[1-(p-tolylsulfonyl)imidazol-4-yl]propanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]-3-[1-(4-methylphenyl)sulfonyl-4-imidazolyl]propanoic acid methyl ester IUPAC Name: methyl 2-[(4-methylphenyl)sulfonylamino]-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]propanoate Traditional Name: 2-(tosylamino)-3-(1-tosylimidazol-4-yl)propionic acid methyl ester Formula: C21H23N3O6S2 MolecularWeight: 477.55382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CN(C=N2)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CN(C=N2)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)OC

InChI

InChI=1S/C21H23N3O6S2/c1-15-4-8-18(9-5-15)31(26,27)23-20(21(25)30-3)12-17-13-24(14-22-17)32(28,29)19-10-6-16(2)7-11-19/h4-11,13-14,20,23H,12H2,1-3H3