(E)-3-ethoxycarbonyl-6-[2-[(4-methylphenyl)sulfonylamino]-5-nitro-phenyl]hex-3-en-5-ynoic acid

Systemtic Name: (E)-3-ethoxycarbonyl-6-[2-[(4-methylphenyl)sulfonylamino]-5-nitro-phenyl]hex-3-en-5-ynoic acid Openeye Name: (E)-3-ethoxycarbonyl-6-[5-nitro-2-(p-tolylsulfonylamino)phenyl]hex-3-en-5-ynoic acid CAS Name: (E)-3-ethoxycarbonyl-6-[2-[(4-methylphenyl)sulfonylamino]-5-nitrophenyl]hex-3-en-5-ynoic acid IUPAC Name: (E)-3-ethoxycarbonyl-6-[2-[(4-methylphenyl)sulfonylamino]-5-nitrophenyl]hex-3-en-5-ynoic acid Traditional Name: (E)-3-carbethoxy-6-[5-nitro-2-(tosylamino)phenyl]hex-3-en-5-ynoic acid Formula: C22H20N2O8S MolecularWeight: 472.4678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC#CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=C(C=C2)C)CC(=O)O

Isomeric SMILES

CCOC(=O)/C(=C/C#CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=C(C=C2)C)/CC(=O)O

InChI

InChI=1S/C22H20N2O8S/c1-3-32-22(27)17(14-21(25)26)6-4-5-16-13-18(24(28)29)9-12-20(16)23-33(30,31)19-10-7-15(2)8-11-19/h6-13,23H,3,14H2,1-2H3,(H,25,26)/b17-6+