N-(2-chloranyl-5-nitro-phenyl)-4-methoxy-3-morpholin-4-ylcarbonyl-benzenesulfonamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-4-methoxy-3-morpholin-4-ylcarbonyl-benzenesulfonamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide CAS Name: N-(2-chloro-5-nitrophenyl)-4-methoxy-3-[4-morpholinyl(oxo)methyl]benzenesulfonamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide Formula: C18H18ClN3O7S MolecularWeight: 455.86942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)N3CCOCC3

InChI

InChI=1S/C18H18ClN3O7S/c1-28-17-5-3-13(11-14(17)18(23)21-6-8-29-9-7-21)30(26,27)20-16-10-12(22(24)25)2-4-15(16)19/h2-5,10-11,20H,6-9H2,1H3