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

Systemtic Name: N-(5-chloranyl-2-morpholin-4-yl-phenyl)-4-methoxy-3-nitro-benzenesulfonamide Openeye Name: N-(5-chloro-2-morpholino-phenyl)-4-methoxy-3-nitro-benzenesulfonamide CAS Name: N-[5-chloro-2-(4-morpholinyl)phenyl]-4-methoxy-3-nitrobenzenesulfonamide IUPAC Name: N-(5-chloro-2-morpholin-4-ylphenyl)-4-methoxy-3-nitrobenzenesulfonamide Traditional Name: N-(5-chloro-2-morpholino-phenyl)-4-methoxy-3-nitro-benzenesulfonamide Formula: C17H18ClN3O6S MolecularWeight: 427.85932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O6S/c1-26-17-5-3-13(11-16(17)21(22)23)28(24,25)19-14-10-12(18)2-4-15(14)20-6-8-27-9-7-20/h2-5,10-11,19H,6-9H2,1H3