(E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-N-(2-methyl-5-nitro-phenyl)prop-2-enamide

Systemtic Name: (E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-N-(2-methyl-5-nitro-phenyl)prop-2-enamide Openeye Name: (E)-3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-N-(2-methyl-5-nitro-phenyl)prop-2-enamide CAS Name: (E)-3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-N-(2-methyl-5-nitrophenyl)-2-propenamide IUPAC Name: (E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide Traditional Name: (E)-3-(4-methoxy-3-piperidinosulfonyl-phenyl)-N-(2-methyl-5-nitro-phenyl)acrylamide Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C=CC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)/C=C/C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H25N3O6S/c1-16-6-9-18(25(27)28)15-19(16)23-22(26)11-8-17-7-10-20(31-2)21(14-17)32(29,30)24-12-4-3-5-13-24/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,23,26)/b11-8+