2-[[3-(4-chlorophenyl)sulfonylpropanoylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[3-(4-chlorophenyl)sulfonylpropanoylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[3-(4-chlorophenyl)sulfonylpropanoylamino]methyl]-4-nitro-phenolate CAS Name: 2-[[[3-(4-chlorophenyl)sulfonyl-1-oxopropyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[3-(4-chlorophenyl)sulfonylpropanoylamino]methyl]-4-nitrophenolate Traditional Name: 2-[[3-(4-chlorophenyl)sulfonylpropanoylamino]methyl]-4-nitro-phenolate Formula: C16H14ClN2O6S- MolecularWeight: 397.81016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)CCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)CCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])Cl

InChI

InChI=1S/C16H15ClN2O6S/c17-12-1-4-14(5-2-12)26(24,25)8-7-16(21)18-10-11-9-13(19(22)23)3-6-15(11)20/h1-6,9,20H,7-8,10H2,(H,18,21)/p-1