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

Systemtic Name: 2-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]ethanoic acid Openeye Name: 2-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]acetic acid CAS Name: 2-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]acetic acid IUPAC Name: 2-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]acetic acid Traditional Name: 2-[mesyl-(4-nitrobenzyl)amino]acetic acid Formula: C10H12N2O6S MolecularWeight: 288.27708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O6S/c1-19(17,18)11(7-10(13)14)6-8-2-4-9(5-3-8)12(15)16/h2-5H,6-7H2,1H3,(H,13,14)