(E)-1-(4-morpholin-4-ylsulfonylphenyl)-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(4-morpholin-4-ylsulfonylphenyl)-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-en-1-one Openeye Name: (E)-3-(4-isopropyl-3-nitro-phenyl)-1-(4-morpholinosulfonylphenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(4-morpholinylsulfonyl)phenyl]-3-(3-nitro-4-propan-2-ylphenyl)-2-propen-1-one IUPAC Name: (E)-1-(4-morpholin-4-ylsulfonylphenyl)-3-(3-nitro-4-propan-2-ylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(4-isopropyl-3-nitro-phenyl)-1-(4-morpholinosulfonylphenyl)prop-2-en-1-one Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O6S/c1-16(2)20-9-3-17(15-21(20)24(26)27)4-10-22(25)18-5-7-19(8-6-18)31(28,29)23-11-13-30-14-12-23/h3-10,15-16H,11-14H2,1-2H3/b10-4+