2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)methyl]benzenecarbonitrile

Systemtic Name: 2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)methyl]benzenecarbonitrile Openeye Name: 2-[(4-morpholinosulfonyl-2-nitro-phenoxy)methyl]benzonitrile CAS Name: 2-[[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]methyl]benzonitrile IUPAC Name: 2-[(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)methyl]benzonitrile Traditional Name: 2-[(4-morpholinosulfonyl-2-nitro-phenoxy)methyl]benzonitrile Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OCC3=CC=CC=C3C#N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OCC3=CC=CC=C3C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O6S/c19-12-14-3-1-2-4-15(14)13-27-18-6-5-16(11-17(18)21(22)23)28(24,25)20-7-9-26-10-8-20/h1-6,11H,7-10,13H2