methyl (2S,3R)-3-chloranyl-2-[(4-methylphenyl)sulfonylamino]-3-(4-nitrophenyl)propanoate

Systemtic Name: methyl (2S,3R)-3-chloranyl-2-[(4-methylphenyl)sulfonylamino]-3-(4-nitrophenyl)propanoate Openeye Name: methyl (2S,3R)-3-chloro-3-(4-nitrophenyl)-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S,3R)-3-chloro-2-[(4-methylphenyl)sulfonylamino]-3-(4-nitrophenyl)propanoic acid methyl ester IUPAC Name: methyl (2S,3R)-3-chloro-2-[(4-methylphenyl)sulfonylamino]-3-(4-nitrophenyl)propanoate Traditional Name: (2S,3R)-3-chloro-3-(4-nitrophenyl)-2-(tosylamino)propionic acid methyl ester Formula: C17H17ClN2O6S MolecularWeight: 412.84468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C2=CC=C(C=C2)[N+](=O)[O-])Cl)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H]([C@@H](C2=CC=C(C=C2)[N+](=O)[O-])Cl)C(=O)OC

InChI

InChI=1S/C17H17ClN2O6S/c1-11-3-9-14(10-4-11)27(24,25)19-16(17(21)26-2)15(18)12-5-7-13(8-6-12)20(22)23/h3-10,15-16,19H,1-2H3/t15-,16-/m1/s1