sodium 2-[(4-methylsulfonylphenyl)methylideneamino]-3-(4-nitrophenyl)-3-oxidanyl-propanoate

Systemtic Name: sodium 2-[(4-methylsulfonylphenyl)methylideneamino]-3-(4-nitrophenyl)-3-oxidanyl-propanoate Openeye Name: sodium 3-hydroxy-2-[(4-methylsulfonylphenyl)methyleneamino]-3-(4-nitrophenyl)propanoate CAS Name: sodium 3-hydroxy-2-[(4-methylsulfonylphenyl)methylideneamino]-3-(4-nitrophenyl)propanoate IUPAC Name: sodium 3-hydroxy-2-[(4-methylsulfonylphenyl)methylideneamino]-3-(4-nitrophenyl)propanoate Traditional Name: sodium 3-hydroxy-2-[(4-mesylbenzylidene)amino]-3-(4-nitrophenyl)propionate Formula: C17H15N2NaO7S MolecularWeight: 414.36497

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C=NC(C(C2=CC=C(C=C2)[N+](=O)[O-])O)C(=O)[O-].[Na+]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C=NC(C(C2=CC=C(C=C2)[N+](=O)[O-])O)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H16N2O7S.Na/c1-27(25,26)14-8-2-11(3-9-14)10-18-15(17(21)22)16(20)12-4-6-13(7-5-12)19(23)24;/h2-10,15-16,20H,1H3,(H,21,22);/q;+1/p-1