3-[(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)methyl]benzenecarbonitrile

Systemtic Name: 3-[(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)methyl]benzenecarbonitrile Openeye Name: 3-[(4-morpholinosulfonyl-2-nitro-phenoxy)methyl]benzonitrile CAS Name: 3-[[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]methyl]benzonitrile IUPAC Name: 3-[(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)methyl]benzonitrile Traditional Name: 3-[(4-morpholinosulfonyl-2-nitro-phenoxy)methyl]benzonitrile Formula: C18H17N3O6S MolecularWeight: 403.40908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OCC3=CC=CC(=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OCC3=CC=CC(=C3)C#N)[N+](=O)[O-]

InChI

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