2-[4-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)phenyl]ethanenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)CC#N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)CC#N)[N+](=O)[O-]

InChI

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