2-[(4-chloranyl-3-nitro-phenyl)sulfonyl-(2-morpholin-4-ium-4-ylethyl)amino]-N-phenyl-ethanamide

Systemtic Name: 2-[(4-chloranyl-3-nitro-phenyl)sulfonyl-(2-morpholin-4-ium-4-ylethyl)amino]-N-phenyl-ethanamide Openeye Name: 2-[(4-chloro-3-nitro-phenyl)sulfonyl-(2-morpholin-4-ium-4-ylethyl)amino]-N-phenyl-acetamide CAS Name: 2-[(4-chloro-3-nitrophenyl)sulfonyl-[2-(4-morpholin-4-iumyl)ethyl]amino]-N-phenylacetamide IUPAC Name: 2-[(4-chloro-3-nitrophenyl)sulfonyl-(2-morpholin-4-ium-4-ylethyl)amino]-N-phenylacetamide Traditional Name: 2-[(4-chloro-3-nitro-phenyl)sulfonyl-(2-morpholin-4-ium-4-ylethyl)amino]-N-phenyl-acetamide Formula: C20H24ClN4O6S+ MolecularWeight: 483.94576

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN(CC(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCN(CC(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H23ClN4O6S/c21-18-7-6-17(14-19(18)25(27)28)32(29,30)24(9-8-23-10-12-31-13-11-23)15-20(26)22-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2,(H,22,26)/p+1