2-[naphthalen-1-ylsulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid

Systemtic Name: 2-[naphthalen-1-ylsulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid Openeye Name: 2-[1-naphthylsulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid CAS Name: 2-[1-naphthalenylsulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid IUPAC Name: 2-[naphthalen-1-ylsulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid Traditional Name: 2-[1-naphthylsulfonyl-(4-nitrobenzyl)amino]propionic acid Formula: C20H18N2O6S MolecularWeight: 414.43172

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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=CC=CC=C32

Isomeric SMILES

CC(C(=O)O)N(CC1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C20H18N2O6S/c1-14(20(23)24)21(13-15-9-11-17(12-10-15)22(25)26)29(27,28)19-8-4-6-16-5-2-3-7-18(16)19/h2-12,14H,13H2,1H3,(H,23,24)