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

Systemtic Name: methyl (2R,3S)-2-methyl-3-[(4-methylphenyl)sulfonylamino]-3-(4-nitrophenyl)propanoate Openeye Name: methyl (2R,3S)-2-methyl-3-(4-nitrophenyl)-3-(p-tolylsulfonylamino)propanoate CAS Name: (2R,3S)-2-methyl-3-[(4-methylphenyl)sulfonylamino]-3-(4-nitrophenyl)propanoic acid methyl ester IUPAC Name: methyl (2R,3S)-2-methyl-3-[(4-methylphenyl)sulfonylamino]-3-(4-nitrophenyl)propanoate Traditional Name: (2R,3S)-2-methyl-3-(4-nitrophenyl)-3-(tosylamino)propionic acid methyl ester Formula: C18H20N2O6S MolecularWeight: 392.4262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O6S/c1-12-4-10-16(11-5-12)27(24,25)19-17(13(2)18(21)26-3)14-6-8-15(9-7-14)20(22)23/h4-11,13,17,19H,1-3H3/t13-,17+/m1/s1