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

Systemtic Name: (E)-3-[3-(1,4-diphenylbutylsulfamoyl)-4,5-dimethoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-(1,4-diphenylbutylsulfamoyl)-4,5-dimethoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-(1,4-diphenylbutylsulfamoyl)-4,5-dimethoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(1,4-diphenylbutylsulfamoyl)-4,5-dimethoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-(1,4-diphenylbutylsulfamoyl)-4,5-dimethoxy-phenyl]acrylic acid Formula: C27H29NO6S MolecularWeight: 495.58726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)NC(CCCC2=CC=CC=C2)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)O)S(=O)(=O)NC(CCCC2=CC=CC=C2)C3=CC=CC=C3)OC

InChI

InChI=1S/C27H29NO6S/c1-33-24-18-21(16-17-26(29)30)19-25(27(24)34-2)35(31,32)28-23(22-13-7-4-8-14-22)15-9-12-20-10-5-3-6-11-20/h3-8,10-11,13-14,16-19,23,28H,9,12,15H2,1-2H3,(H,29,30)/b17-16+