(E)-3-[4-methoxy-3-[(2-methyl-1-thiophen-2-yl-propyl)sulfamoyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-methoxy-3-[(2-methyl-1-thiophen-2-yl-propyl)sulfamoyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-methoxy-3-[[2-methyl-1-(2-thienyl)propyl]sulfamoyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-methoxy-3-[(2-methyl-1-thiophen-2-ylpropyl)sulfamoyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-methoxy-3-[(2-methyl-1-thiophen-2-ylpropyl)sulfamoyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-methoxy-3-[[2-methyl-1-(2-thienyl)propyl]sulfamoyl]phenyl]acrylic acid Formula: C18H21NO5S2 MolecularWeight: 395.49304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CS1)NS(=O)(=O)C2=C(C=CC(=C2)C=CC(=O)O)OC

Isomeric SMILES

CC(C)C(C1=CC=CS1)NS(=O)(=O)C2=C(C=CC(=C2)/C=C/C(=O)O)OC

InChI

InChI=1S/C18H21NO5S2/c1-12(2)18(15-5-4-10-25-15)19-26(22,23)16-11-13(7-9-17(20)21)6-8-14(16)24-3/h4-12,18-19H,1-3H3,(H,20,21)/b9-7+