(E)-2-[4-(2-hydroxyphenyl)pyrrolidin-3-yl]-2-isoquinolin-5-ylsulfonyl-hex-4-enoic acid

Systemtic Name: (E)-2-[4-(2-hydroxyphenyl)pyrrolidin-3-yl]-2-isoquinolin-5-ylsulfonyl-hex-4-enoic acid Openeye Name: (E)-2-[4-(2-hydroxyphenyl)pyrrolidin-3-yl]-2-(5-isoquinolylsulfonyl)hex-4-enoic acid CAS Name: (E)-2-[4-(2-hydroxyphenyl)-3-pyrrolidinyl]-2-(5-isoquinolinylsulfonyl)-4-hexenoic acid IUPAC Name: (E)-2-[4-(2-hydroxyphenyl)pyrrolidin-3-yl]-2-isoquinolin-5-ylsulfonylhex-4-enoic acid Traditional Name: (E)-2-[4-(2-hydroxyphenyl)pyrrolidin-3-yl]-2-(5-isoquinolylsulfonyl)hex-4-enoic acid Formula: C25H26N2O5S MolecularWeight: 466.54934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CCC(C1CNCC1C2=CC=CC=C2O)(C(=O)O)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C/C=C/CC(C1CNCC1C2=CC=CC=C2O)(C(=O)O)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C25H26N2O5S/c1-2-3-12-25(24(29)30,21-16-27-15-20(21)19-8-4-5-9-22(19)28)33(31,32)23-10-6-7-17-14-26-13-11-18(17)23/h2-11,13-14,20-21,27-28H,12,15-16H2,1H3,(H,29,30)/b3-2+