2-morpholin-4-ylethylimino-(4-nitrophenyl)-oxidanylidene-(4-phenylmethoxybutyl)-$l^{6}-sulfane

Systemtic Name: 2-morpholin-4-ylethylimino-(4-nitrophenyl)-oxidanylidene-(4-phenylmethoxybutyl)-$l^{6}-sulfane Openeye Name: 4-benzyloxybutyl-(2-morpholinoethylimino)-(4-nitrophenyl)-oxo-$l^{6}-sulfane CAS Name: 2-(4-morpholinyl)ethylimino-(4-nitrophenyl)-oxo-(4-phenylmethoxybutyl)-$l^{6}-sulfane IUPAC Name: 2-morpholin-4-ylethylimino-(4-nitrophenyl)-oxo-(4-phenylmethoxybutyl)-$l^{6}-sulfane Traditional Name: 4-benzoxybutyl-keto-(2-morpholinoethylimino)-(4-nitrophenyl)-$l^{6}-sulfane Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCN=S(=O)(CCCCOCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCN=S(=O)(CCCCOCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H31N3O5S/c27-26(28)22-8-10-23(11-9-22)32(29,24-12-13-25-14-17-30-18-15-25)19-5-4-16-31-20-21-6-2-1-3-7-21/h1-3,6-11H,4-5,12-20H2