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

Systemtic Name: 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid Openeye Name: 2-[[5-(dimethylamino)-1-naphthyl]sulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid CAS Name: 2-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid IUPAC Name: 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid Traditional Name: 2-[naphthionyl-(4-nitrobenzyl)amino]propionic acid Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(CC1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C

Isomeric SMILES

CC(C(=O)O)N(CC1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C

InChI

InChI=1S/C22H23N3O6S/c1-15(22(26)27)24(14-16-10-12-17(13-11-16)25(28)29)32(30,31)21-9-5-6-18-19(21)7-4-8-20(18)23(2)3/h4-13,15H,14H2,1-3H3,(H,26,27)