2-[(2-nitro-5-sulfamoyl-naphthalen-1-yl)amino]propan-2-ylphosphonic acid

Systemtic Name: 2-[(2-nitro-5-sulfamoyl-naphthalen-1-yl)amino]propan-2-ylphosphonic acid Openeye Name: [1-methyl-1-[(2-nitro-5-sulfamoyl-1-naphthyl)amino]ethyl]phosphonic acid CAS Name: 2-[(2-nitro-5-sulfamoyl-1-naphthalenyl)amino]propan-2-ylphosphonic acid IUPAC Name: 2-[(2-nitro-5-sulfamoylnaphthalen-1-yl)amino]propan-2-ylphosphonic acid Traditional Name: [1-methyl-1-[(2-nitro-5-sulfamoyl-1-naphthyl)amino]ethyl]phosphonic acid Formula: C13H16N3O7PS MolecularWeight: 389.320801

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(NC1=C(C=CC2=C1C=CC=C2S(=O)(=O)N)[N+](=O)[O-])P(=O)(O)O

Isomeric SMILES

CC(C)(NC1=C(C=CC2=C1C=CC=C2S(=O)(=O)N)[N+](=O)[O-])P(=O)(O)O

InChI

InChI=1S/C13H16N3O7PS/c1-13(2,24(19,20)21)15-12-9-4-3-5-11(25(14,22)23)8(9)6-7-10(12)16(17)18/h3-7,15H,1-2H3,(H2,14,22,23)(H2,19,20,21)