(3-morpholin-4-ylsulfonylphenyl)methyl 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid (3-morpholinosulfonylbenzyl) ester Formula: C22H25N3O8S MolecularWeight: 491.5142

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H25N3O8S/c26-22(20-15-18(25(27)28)4-5-21(20)23-6-10-31-11-7-23)33-16-17-2-1-3-19(14-17)34(29,30)24-8-12-32-13-9-24/h1-5,14-15H,6-13,16H2