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

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid Openeye Name: 2-[(4-nitrophenyl)methyl-(p-tolylsulfonyl)amino]propanoic acid CAS Name: 2-[(4-methylphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid IUPAC Name: 2-[(4-methylphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid Traditional Name: 2-[(4-nitrobenzyl)-tosyl-amino]propionic acid Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O6S/c1-12-3-9-16(10-4-12)26(24,25)18(13(2)17(20)21)11-14-5-7-15(8-6-14)19(22)23/h3-10,13H,11H2,1-2H3,(H,20,21)