methyl 3-[(4-methylphenyl)sulfonylamino]-3-(4-nitrophenyl)-2-oxidanyl-propanoate

Systemtic Name: methyl 3-[(4-methylphenyl)sulfonylamino]-3-(4-nitrophenyl)-2-oxidanyl-propanoate Openeye Name: methyl 2-hydroxy-3-(4-nitrophenyl)-3-(p-tolylsulfonylamino)propanoate CAS Name: 2-hydroxy-3-[(4-methylphenyl)sulfonylamino]-3-(4-nitrophenyl)propanoic acid methyl ester IUPAC Name: methyl 2-hydroxy-3-[(4-methylphenyl)sulfonylamino]-3-(4-nitrophenyl)propanoate Traditional Name: 2-hydroxy-3-(4-nitrophenyl)-3-(tosylamino)propionic acid methyl ester Formula: C17H18N2O7S MolecularWeight: 394.39902

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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(=O)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O7S/c1-11-3-9-14(10-4-11)27(24,25)18-15(16(20)17(21)26-2)12-5-7-13(8-6-12)19(22)23/h3-10,15-16,18,20H,1-2H3