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

Systemtic Name: 2-[(4-nitrophenyl)methyl-(2,4,6-trimethylphenyl)sulfonyl-amino]ethanoic acid Openeye Name: 2-[(4-nitrophenyl)methyl-(2,4,6-trimethylphenyl)sulfonyl-amino]acetic acid CAS Name: 2-[(4-nitrophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetic acid IUPAC Name: 2-[(4-nitrophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetic acid Traditional Name: 2-[mesitylsulfonyl-(4-nitrobenzyl)amino]acetic acid Formula: C18H20N2O6S MolecularWeight: 392.4262

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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-])CC(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O6S/c1-12-8-13(2)18(14(3)9-12)27(25,26)19(11-17(21)22)10-15-4-6-16(7-5-15)20(23)24/h4-9H,10-11H2,1-3H3,(H,21,22)