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

Systemtic Name: 1-(4-methylphenyl)-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)propan-1-one Openeye Name: 2-(4-morpholinosulfonyl-2-nitro-phenoxy)-1-(p-tolyl)propan-1-one CAS Name: 1-(4-methylphenyl)-2-[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]-1-propanone IUPAC Name: 1-(4-methylphenyl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)propan-1-one Traditional Name: 2-(4-morpholinosulfonyl-2-nitro-phenoxy)-1-(p-tolyl)propan-1-one Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O7S/c1-14-3-5-16(6-4-14)20(23)15(2)29-19-8-7-17(13-18(19)22(24)25)30(26,27)21-9-11-28-12-10-21/h3-8,13,15H,9-12H2,1-2H3