(Z)-4-[4-(tert-butylsulfamoyl)phenyl]-3-ethoxycarbonyl-4-pyridin-3-yl-but-3-enoic acid

Systemtic Name: (Z)-4-[4-(tert-butylsulfamoyl)phenyl]-3-ethoxycarbonyl-4-pyridin-3-yl-but-3-enoic acid Openeye Name: (Z)-4-[4-(tert-butylsulfamoyl)phenyl]-3-ethoxycarbonyl-4-(3-pyridyl)but-3-enoic acid CAS Name: (Z)-4-[4-(tert-butylsulfamoyl)phenyl]-3-ethoxycarbonyl-4-(3-pyridinyl)-3-butenoic acid IUPAC Name: (Z)-4-[4-(tert-butylsulfamoyl)phenyl]-3-ethoxycarbonyl-4-pyridin-3-ylbut-3-enoic acid Traditional Name: (Z)-4-[4-(tert-butylsulfamoyl)phenyl]-3-carbethoxy-4-(3-pyridyl)but-3-enoic acid Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C1=CC=C(C=C1)S(=O)(=O)NC(C)(C)C)C2=CN=CC=C2)CC(=O)O

Isomeric SMILES

CCOC(=O)/C(=C(/C1=CC=C(C=C1)S(=O)(=O)NC(C)(C)C)\C2=CN=CC=C2)/CC(=O)O

InChI

InChI=1S/C22H26N2O6S/c1-5-30-21(27)18(13-19(25)26)20(16-7-6-12-23-14-16)15-8-10-17(11-9-15)31(28,29)24-22(2,3)4/h6-12,14,24H,5,13H2,1-4H3,(H,25,26)/b20-18-