N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)-3-nitro-4-oxidanyl-benzenesulfonamide

Systemtic Name: N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)-3-nitro-4-oxidanyl-benzenesulfonamide Openeye Name: N-(2,5-diethoxy-4-morpholino-phenyl)-4-hydroxy-3-nitro-benzenesulfonamide CAS Name: N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]-4-hydroxy-3-nitrobenzenesulfonamide IUPAC Name: N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-hydroxy-3-nitrobenzenesulfonamide Traditional Name: N-(2,5-diethoxy-4-morpholino-phenyl)-4-hydroxy-3-nitro-benzenesulfonamide Formula: C20H25N3O8S MolecularWeight: 467.4928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O8S/c1-3-30-19-13-17(22-7-9-29-10-8-22)20(31-4-2)12-15(19)21-32(27,28)14-5-6-18(24)16(11-14)23(25)26/h5-6,11-13,21,24H,3-4,7-10H2,1-2H3