3-[3,4-dimethoxy-5-[3-(2-oxidanylidenepyrrolidin-1-yl)propylsulfamoyl]phenyl]prop-2-enoic acid

Systemtic Name: 3-[3,4-dimethoxy-5-[3-(2-oxidanylidenepyrrolidin-1-yl)propylsulfamoyl]phenyl]prop-2-enoic acid Openeye Name: 3-[3,4-dimethoxy-5-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]phenyl]prop-2-enoic acid CAS Name: 3-[3,4-dimethoxy-5-[3-(2-oxo-1-pyrrolidinyl)propylsulfamoyl]phenyl]-2-propenoic acid IUPAC Name: 3-[3,4-dimethoxy-5-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]phenyl]prop-2-enoic acid Traditional Name: 3-[3-[3-(2-ketopyrrolidino)propylsulfamoyl]-4,5-dimethoxy-phenyl]acrylic acid Formula: C18H24N2O7S MolecularWeight: 412.45736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)NCCCN2CCCC2=O)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)NCCCN2CCCC2=O)OC

InChI

InChI=1S/C18H24N2O7S/c1-26-14-11-13(6-7-17(22)23)12-15(18(14)27-2)28(24,25)19-8-4-10-20-9-3-5-16(20)21/h6-7,11-12,19H,3-5,8-10H2,1-2H3,(H,22,23)