(Z)-6-[(3S,4R)-4-(2-hydroxyphenyl)-1-isoquinolin-5-ylsulfonyl-pyrrolidin-3-yl]hex-4-enoic acid

Systemtic Name: (Z)-6-[(3S,4R)-4-(2-hydroxyphenyl)-1-isoquinolin-5-ylsulfonyl-pyrrolidin-3-yl]hex-4-enoic acid Openeye Name: (Z)-6-[(3S,4R)-4-(2-hydroxyphenyl)-1-(5-isoquinolylsulfonyl)pyrrolidin-3-yl]hex-4-enoic acid CAS Name: (Z)-6-[(3S,4R)-4-(2-hydroxyphenyl)-1-(5-isoquinolinylsulfonyl)-3-pyrrolidinyl]-4-hexenoic acid IUPAC Name: (Z)-6-[(3S,4R)-4-(2-hydroxyphenyl)-1-isoquinolin-5-ylsulfonylpyrrolidin-3-yl]hex-4-enoic acid Traditional Name: (Z)-6-[(3S,4R)-4-(2-hydroxyphenyl)-1-(5-isoquinolylsulfonyl)pyrrolidin-3-yl]hex-4-enoic acid Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CN1S(=O)(=O)C2=CC=CC3=C2C=CN=C3)C4=CC=CC=C4O)CC=CCCC(=O)O

Isomeric SMILES

C1[C@H]([C@@H](CN1S(=O)(=O)C2=CC=CC3=C2C=CN=C3)C4=CC=CC=C4O)C/C=C\CCC(=O)O

InChI

InChI=1S/C25H26N2O5S/c28-23-10-5-4-9-21(23)22-17-27(16-19(22)7-2-1-3-12-25(29)30)33(31,32)24-11-6-8-18-15-26-14-13-20(18)24/h1-2,4-6,8-11,13-15,19,22,28H,3,7,12,16-17H2,(H,29,30)/b2-1-/t19-,22-/m1/s1