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

Systemtic Name: 1-(4-tert-butylphenyl)-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)propan-1-one Openeye Name: 1-(4-tert-butylphenyl)-2-(4-morpholinosulfonyl-2-nitro-phenoxy)propan-1-one CAS Name: 1-(4-tert-butylphenyl)-2-[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]-1-propanone IUPAC Name: 1-(4-tert-butylphenyl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)propan-1-one Traditional Name: 1-(4-tert-butylphenyl)-2-(4-morpholinosulfonyl-2-nitro-phenoxy)propan-1-one Formula: C23H28N2O7S MolecularWeight: 476.54262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H28N2O7S/c1-16(22(26)17-5-7-18(8-6-17)23(2,3)4)32-21-10-9-19(15-20(21)25(27)28)33(29,30)24-11-13-31-14-12-24/h5-10,15-16H,11-14H2,1-4H3