2-[2-hydroxyethyl-(4-methylphenyl)sulfonyl-amino]-2-(4-nitrophenyl)propanoic acid

Systemtic Name: 2-[2-hydroxyethyl-(4-methylphenyl)sulfonyl-amino]-2-(4-nitrophenyl)propanoic acid Openeye Name: 2-[2-hydroxyethyl(p-tolylsulfonyl)amino]-2-(4-nitrophenyl)propanoic acid CAS Name: 2-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]-2-(4-nitrophenyl)propanoic acid IUPAC Name: 2-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]-2-(4-nitrophenyl)propanoic acid Traditional Name: 2-[2-hydroxyethyl(tosyl)amino]-2-(4-nitrophenyl)propionic acid Formula: C18H20N2O7S MolecularWeight: 408.4256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O7S/c1-13-3-9-16(10-4-13)28(26,27)19(11-12-21)18(2,17(22)23)14-5-7-15(8-6-14)20(24)25/h3-10,21H,11-12H2,1-2H3,(H,22,23)