N-(2-ethoxy-5-morpholin-4-ylsulfonyl-phenyl)-3-nitro-4-oxidanyl-benzenesulfonamide

Systemtic Name: N-(2-ethoxy-5-morpholin-4-ylsulfonyl-phenyl)-3-nitro-4-oxidanyl-benzenesulfonamide Openeye Name: N-(2-ethoxy-5-morpholinosulfonyl-phenyl)-4-hydroxy-3-nitro-benzenesulfonamide CAS Name: N-[2-ethoxy-5-(4-morpholinylsulfonyl)phenyl]-4-hydroxy-3-nitrobenzenesulfonamide IUPAC Name: N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-4-hydroxy-3-nitrobenzenesulfonamide Traditional Name: N-(2-ethoxy-5-morpholinosulfonyl-phenyl)-4-hydroxy-3-nitro-benzenesulfonamide Formula: C18H21N3O9S2 MolecularWeight: 487.50404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O9S2/c1-2-30-18-6-4-14(32(27,28)20-7-9-29-10-8-20)11-15(18)19-31(25,26)13-3-5-17(22)16(12-13)21(23)24/h3-6,11-12,19,22H,2,7-10H2,1H3