4-chloranyl-N-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[(4-cyanophenyl)methyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-(4-cyanobenzyl)-N-(2-morpholin-4-ium-4-ylethyl)-3-nitro-benzenesulfonamide Formula: C20H22ClN4O5S+ MolecularWeight: 465.93048

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN(CC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCN(CC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN4O5S/c21-19-6-5-18(13-20(19)25(26)27)31(28,29)24(8-7-23-9-11-30-12-10-23)15-17-3-1-16(14-22)2-4-17/h1-6,13H,7-12,15H2/p+1