ethyl 4-[[2-morpholin-4-ylethyl-(4-nitrophenyl)sulfonyl-amino]methyl]benzoate

Systemtic Name: ethyl 4-[[2-morpholin-4-ylethyl-(4-nitrophenyl)sulfonyl-amino]methyl]benzoate Openeye Name: ethyl 4-[[2-morpholinoethyl-(4-nitrophenyl)sulfonyl-amino]methyl]benzoate CAS Name: 4-[[2-(4-morpholinyl)ethyl-(4-nitrophenyl)sulfonylamino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-morpholin-4-ylethyl-(4-nitrophenyl)sulfonylamino]methyl]benzoate Traditional Name: 4-[[2-morpholinoethyl(nosyl)amino]methyl]benzoic acid ethyl ester Formula: C22H27N3O7S MolecularWeight: 477.53068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CN(CCN2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN(CCN2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O7S/c1-2-32-22(26)19-5-3-18(4-6-19)17-24(12-11-23-13-15-31-16-14-23)33(29,30)21-9-7-20(8-10-21)25(27)28/h3-10H,2,11-17H2,1H3