2-[(4-nitrophenyl)methyl-(phenylsulfonyl)amino]propanoic acid

Systemtic Name: 2-[(4-nitrophenyl)methyl-(phenylsulfonyl)amino]propanoic acid Openeye Name: 2-[benzenesulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid CAS Name: 2-[benzenesulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid IUPAC Name: 2-[benzenesulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid Traditional Name: 2-[besyl-(4-nitrobenzyl)amino]propionic acid Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O6S/c1-12(16(19)20)17(25(23,24)15-5-3-2-4-6-15)11-13-7-9-14(10-8-13)18(21)22/h2-10,12H,11H2,1H3,(H,19,20)