2-[(4-nitrophenyl)methyl-(2,4,6-trimethylphenyl)sulfonyl-amino]propanoic acid

Systemtic Name: 2-[(4-nitrophenyl)methyl-(2,4,6-trimethylphenyl)sulfonyl-amino]propanoic acid Openeye Name: 2-[(4-nitrophenyl)methyl-(2,4,6-trimethylphenyl)sulfonyl-amino]propanoic acid CAS Name: 2-[(4-nitrophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid IUPAC Name: 2-[(4-nitrophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid Traditional Name: 2-[mesitylsulfonyl-(4-nitrobenzyl)amino]propionic acid Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O6S/c1-12-9-13(2)18(14(3)10-12)28(26,27)20(15(4)19(22)23)11-16-5-7-17(8-6-16)21(24)25/h5-10,15H,11H2,1-4H3,(H,22,23)