N-[4-(cyanomethyl)phenyl]-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-(4-morpholinosulfonyl-2-nitro-phenoxy)acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)acetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-(4-morpholinosulfonyl-2-nitro-phenoxy)acetamide Formula: C20H20N4O7S MolecularWeight: 460.4604

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NC3=CC=C(C=C3)CC#N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NC3=CC=C(C=C3)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O7S/c21-8-7-15-1-3-16(4-2-15)22-20(25)14-31-19-6-5-17(13-18(19)24(26)27)32(28,29)23-9-11-30-12-10-23/h1-6,13H,7,9-12,14H2,(H,22,25)