2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[(4-nitrophenyl)methyl]amino]ethanoic acid

Systemtic Name: 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[(4-nitrophenyl)methyl]amino]ethanoic acid Openeye Name: 2-[[5-(dimethylamino)-1-naphthyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetic acid CAS Name: 2-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetic acid IUPAC Name: 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetic acid Traditional Name: 2-[naphthionyl-(4-nitrobenzyl)amino]acetic acid Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N(CC3=CC=C(C=C3)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N(CC3=CC=C(C=C3)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C21H21N3O6S/c1-22(2)19-7-3-6-18-17(19)5-4-8-20(18)31(29,30)23(14-21(25)26)13-15-9-11-16(12-10-15)24(27)28/h3-12H,13-14H2,1-2H3,(H,25,26)