N-[2-(diethylazaniumyl)ethyl]-4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzenecarboximidate

Systemtic Name: N-[2-(diethylazaniumyl)ethyl]-4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzenecarboximidate Openeye Name: N-[2-(diethylammonio)ethyl]-4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzenecarboximidate CAS Name: N-[2-(diethylammonio)ethyl]-4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzenecarboximidate IUPAC Name: N-[2-(diethylazaniumyl)ethyl]-4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzenecarboximidate Traditional Name: N-[2-(diethylammonio)ethyl]-4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzenecarboximidate Formula: C20H26N4O5S MolecularWeight: 434.50924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN=C(C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])[O-]

Isomeric SMILES

CC[NH+](CC)CCN=C(C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])[O-]

InChI

InChI=1S/C20H26N4O5S/c1-4-23(5-2)13-12-21-20(25)16-7-9-17(10-8-16)22-30(28,29)18-11-6-15(3)19(14-18)24(26)27/h6-11,14,22H,4-5,12-13H2,1-3H3,(H,21,25)