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

Systemtic Name: (E)-3-(4-hydroxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: (E)-3-(4-hydroxyphenyl)-2-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)prop-2-enoic acid CAS Name: (E)-3-(4-hydroxyphenyl)-2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: (E)-3-(4-hydroxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: (E)-3-(4-hydroxyphenyl)-2-(5-pyrrolidinosulfonyl-2-thienyl)acrylic acid Formula: C17H17NO5S2 MolecularWeight: 379.45058

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(S2)C(=CC3=CC=C(C=C3)O)C(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(S2)/C(=C/C3=CC=C(C=C3)O)/C(=O)O

InChI

InChI=1S/C17H17NO5S2/c19-13-5-3-12(4-6-13)11-14(17(20)21)15-7-8-16(24-15)25(22,23)18-9-1-2-10-18/h3-8,11,19H,1-2,9-10H2,(H,20,21)/b14-11-