5-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)pentanenitrile

Systemtic Name: 5-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)pentanenitrile Openeye Name: 5-(4-morpholinosulfonyl-2-nitro-phenoxy)pentanenitrile CAS Name: 5-[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]pentanenitrile IUPAC Name: 5-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)pentanenitrile Traditional Name: 5-(4-morpholinosulfonyl-2-nitro-phenoxy)valeronitrile Formula: C15H19N3O6S MolecularWeight: 369.39286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O6S/c16-6-2-1-3-9-24-15-5-4-13(12-14(15)18(19)20)25(21,22)17-7-10-23-11-8-17/h4-5,12H,1-3,7-11H2