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

Systemtic Name: (E)-3-[3,4-dimethoxy-5-(3-phenylmethoxypropylsulfamoyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-(3-benzyloxypropylsulfamoyl)-4,5-dimethoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[3,4-dimethoxy-5-(3-phenylmethoxypropylsulfamoyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3,4-dimethoxy-5-(3-phenylmethoxypropylsulfamoyl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-(3-benzoxypropylsulfamoyl)-4,5-dimethoxy-phenyl]acrylic acid Formula: C21H25NO7S MolecularWeight: 435.4907

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)NCCCOCC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)O)S(=O)(=O)NCCCOCC2=CC=CC=C2)OC

InChI

InChI=1S/C21H25NO7S/c1-27-18-13-17(9-10-20(23)24)14-19(21(18)28-2)30(25,26)22-11-6-12-29-15-16-7-4-3-5-8-16/h3-5,7-10,13-14,22H,6,11-12,15H2,1-2H3,(H,23,24)/b10-9+