(E)-3-[3-[(1-adamantylcarbonylamino)sulfamoyl]-4,5-dimethoxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-[(1-adamantylcarbonylamino)sulfamoyl]-4,5-dimethoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-[(adamantane-1-carbonylamino)sulfamoyl]-4,5-dimethoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-[[[1-adamantyl(oxo)methyl]amino]sulfamoyl]-4,5-dimethoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-[(adamantane-1-carbonylamino)sulfamoyl]-4,5-dimethoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-[(adamantane-1-carbonylamino)sulfamoyl]-4,5-dimethoxy-phenyl]acrylic acid Formula: C22H28N2O7S MolecularWeight: 464.53192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)O)S(=O)(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C22H28N2O7S/c1-30-17-8-13(3-4-19(25)26)9-18(20(17)31-2)32(28,29)24-23-21(27)22-10-14-5-15(11-22)7-16(6-14)12-22/h3-4,8-9,14-16,24H,5-7,10-12H2,1-2H3,(H,23,27)(H,25,26)/b4-3+