(E)-3-(4,5-dimethoxy-2-nitro-phenyl)-1-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(4,5-dimethoxy-2-nitro-phenyl)-1-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(4,5-dimethoxy-2-nitro-phenyl)-1-(4-morpholinosulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-(4,5-dimethoxy-2-nitrophenyl)-1-[4-(4-morpholinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(4,5-dimethoxy-2-nitrophenyl)-1-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(4,5-dimethoxy-2-nitro-phenyl)-1-(4-morpholinosulfonylphenyl)prop-2-en-1-one Formula: C21H22N2O8S MolecularWeight: 462.47298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22N2O8S/c1-29-20-13-16(18(23(25)26)14-21(20)30-2)5-8-19(24)15-3-6-17(7-4-15)32(27,28)22-9-11-31-12-10-22/h3-8,13-14H,9-12H2,1-2H3/b8-5+