methyl (2S)-2-[bis-(4-methylphenyl)sulfonylamino]-3-(1H-imidazol-5-yl)propanoate

Systemtic Name: methyl (2S)-2-[bis-(4-methylphenyl)sulfonylamino]-3-(1H-imidazol-5-yl)propanoate Openeye Name: methyl (2S)-2-[bis(p-tolylsulfonyl)amino]-3-(1H-imidazol-5-yl)propanoate CAS Name: (2S)-2-[bis-(4-methylphenyl)sulfonylamino]-3-(1H-imidazol-5-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[bis-(4-methylphenyl)sulfonylamino]-3-(1H-imidazol-5-yl)propanoate Traditional Name: (2S)-2-(ditosylamino)-3-(1H-imidazol-5-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)N(C(CC2=CN=CN2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N([C@@H](CC2=CN=CN2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H23N3O6S2/c1-15-4-8-18(9-5-15)31(26,27)24(32(28,29)19-10-6-16(2)7-11-19)20(21(25)30-3)12-17-13-22-14-23-17/h4-11,13-14,20H,12H2,1-3H3,(H,22,23)/t20-/m0/s1