2-[(4-nitrophenyl)methyl-[3-(oxidanylcarbamoyl)phenyl]sulfonyl-amino]ethanoic acid

Systemtic Name: 2-[(4-nitrophenyl)methyl-[3-(oxidanylcarbamoyl)phenyl]sulfonyl-amino]ethanoic acid Openeye Name: 2-[[3-(hydroxycarbamoyl)phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetic acid CAS Name: 2-[[3-[(hydroxyamino)-oxomethyl]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetic acid IUPAC Name: 2-[[3-(hydroxycarbamoyl)phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetic acid Traditional Name: 2-[[3-(hydroxycarbamoyl)phenyl]sulfonyl-(4-nitrobenzyl)amino]acetic acid Formula: C16H15N3O8S MolecularWeight: 409.3706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)N(CC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)O)C(=O)NO

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)N(CC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)O)C(=O)NO

InChI

InChI=1S/C16H15N3O8S/c20-15(21)10-18(9-11-4-6-13(7-5-11)19(24)25)28(26,27)14-3-1-2-12(8-14)16(22)17-23/h1-8,23H,9-10H2,(H,17,22)(H,20,21)