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

Systemtic Name: 2-[(4-nitrophenyl)methyl-(phenylmethyl)sulfonyl-amino]propanoic acid Openeye Name: 2-[benzylsulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid CAS Name: 2-[(4-nitrophenyl)methyl-(phenylmethyl)sulfonylamino]propanoic acid IUPAC Name: 2-[benzylsulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid Traditional Name: 2-[benzylsulfonyl-(4-nitrobenzyl)amino]propionic acid Formula: C17H18N2O6S MolecularWeight: 378.39962

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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)CC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)O)N(CC1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C17H18N2O6S/c1-13(17(20)21)18(11-14-7-9-16(10-8-14)19(22)23)26(24,25)12-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,21)