1-(4-tert-butylphenyl)-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)ethanone

Systemtic Name: 1-(4-tert-butylphenyl)-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)ethanone Openeye Name: 1-(4-tert-butylphenyl)-2-(4-morpholinosulfonyl-2-nitro-phenoxy)ethanone CAS Name: 1-(4-tert-butylphenyl)-2-[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]ethanone IUPAC Name: 1-(4-tert-butylphenyl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)ethanone Traditional Name: 1-(4-tert-butylphenyl)-2-(4-morpholinosulfonyl-2-nitro-phenoxy)ethanone Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O7S/c1-22(2,3)17-6-4-16(5-7-17)20(25)15-31-21-9-8-18(14-19(21)24(26)27)32(28,29)23-10-12-30-13-11-23/h4-9,14H,10-13,15H2,1-3H3