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

Systemtic Name: (E)-3-[4-[[(4-propylphenyl)-thiophen-2-yl-methyl]sulfamoyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[[(4-propylphenyl)-(2-thienyl)methyl]sulfamoyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[[(4-propylphenyl)-thiophen-2-ylmethyl]sulfamoyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[[(4-propylphenyl)-thiophen-2-ylmethyl]sulfamoyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[[(4-propylphenyl)-(2-thienyl)methyl]sulfamoyl]phenyl]acrylic acid Formula: C23H23NO4S2 MolecularWeight: 441.56302

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C2=CC=CS2)NS(=O)(=O)C3=CC=C(C=C3)C=CC(=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)C(C2=CC=CS2)NS(=O)(=O)C3=CC=C(C=C3)/C=C/C(=O)O

InChI

InChI=1S/C23H23NO4S2/c1-2-4-17-6-11-19(12-7-17)23(21-5-3-16-29-21)24-30(27,28)20-13-8-18(9-14-20)10-15-22(25)26/h3,5-16,23-24H,2,4H2,1H3,(H,25,26)/b15-10+