(E)-3-(4-butoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(4-butoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: (E)-3-(4-butoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)prop-2-enoic acid CAS Name: (E)-3-(4-butoxyphenyl)-2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: (E)-3-(4-butoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: (E)-3-(4-butoxyphenyl)-2-(5-pyrrolidinosulfonyl-2-thienyl)acrylic acid Formula: C21H25NO5S2 MolecularWeight: 435.5569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C2=CC=C(S2)S(=O)(=O)N3CCCC3)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(/C2=CC=C(S2)S(=O)(=O)N3CCCC3)\C(=O)O

InChI

InChI=1S/C21H25NO5S2/c1-2-3-14-27-17-8-6-16(7-9-17)15-18(21(23)24)19-10-11-20(28-19)29(25,26)22-12-4-5-13-22/h6-11,15H,2-5,12-14H2,1H3,(H,23,24)/b18-15-