N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)ethanamide Openeye Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-(4-morpholinosulfonyl-2-nitro-phenoxy)acetamide CAS Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)acetamide Traditional Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-(4-morpholinosulfonyl-2-nitro-phenoxy)acetamide Formula: C21H21FN4O7S MolecularWeight: 492.477443

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)N(CCC#N)C3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)N(CCC#N)C3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H21FN4O7S/c22-16-2-4-17(5-3-16)25(9-1-8-23)21(27)15-33-20-7-6-18(14-19(20)26(28)29)34(30,31)24-10-12-32-13-11-24/h2-7,14H,1,9-13,15H2