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

Systemtic Name: N-(2-ethoxy-5-morpholin-4-ylsulfonyl-phenyl)-2,3-dimethyl-5-nitro-benzenesulfonamide Openeye Name: N-(2-ethoxy-5-morpholinosulfonyl-phenyl)-2,3-dimethyl-5-nitro-benzenesulfonamide CAS Name: N-[2-ethoxy-5-(4-morpholinylsulfonyl)phenyl]-2,3-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide Traditional Name: N-(2-ethoxy-5-morpholinosulfonyl-phenyl)-2,3-dimethyl-5-nitro-benzenesulfonamide Formula: C20H25N3O8S2 MolecularWeight: 499.5578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O8S2/c1-4-31-19-6-5-17(33(28,29)22-7-9-30-10-8-22)13-18(19)21-32(26,27)20-12-16(23(24)25)11-14(2)15(20)3/h5-6,11-13,21H,4,7-10H2,1-3H3