2-[(4-nitrophenyl)methyl-(phenylmethyl)sulfonyl-amino]ethanoic acid

Systemtic Name: 2-[(4-nitrophenyl)methyl-(phenylmethyl)sulfonyl-amino]ethanoic acid Openeye Name: 2-[benzylsulfonyl-[(4-nitrophenyl)methyl]amino]acetic acid CAS Name: 2-[(4-nitrophenyl)methyl-(phenylmethyl)sulfonylamino]acetic acid IUPAC Name: 2-[benzylsulfonyl-[(4-nitrophenyl)methyl]amino]acetic acid Traditional Name: 2-[benzylsulfonyl-(4-nitrobenzyl)amino]acetic acid Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)N(CC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)N(CC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C16H16N2O6S/c19-16(20)11-17(10-13-6-8-15(9-7-13)18(21)22)25(23,24)12-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,19,20)