(Z)-6-[(3S,4S)-4-(2-hydroxyphenyl)-1-quinolin-8-ylsulfonyl-pyrrolidin-3-yl]hex-4-enoic acid

Systemtic Name: (Z)-6-[(3S,4S)-4-(2-hydroxyphenyl)-1-quinolin-8-ylsulfonyl-pyrrolidin-3-yl]hex-4-enoic acid Openeye Name: (Z)-6-[(3S,4S)-4-(2-hydroxyphenyl)-1-(8-quinolylsulfonyl)pyrrolidin-3-yl]hex-4-enoic acid CAS Name: (Z)-6-[(3S,4S)-4-(2-hydroxyphenyl)-1-(8-quinolinylsulfonyl)-3-pyrrolidinyl]-4-hexenoic acid IUPAC Name: (Z)-6-[(3S,4S)-4-(2-hydroxyphenyl)-1-quinolin-8-ylsulfonylpyrrolidin-3-yl]hex-4-enoic acid Traditional Name: (Z)-6-[(3S,4S)-4-(2-hydroxyphenyl)-1-(8-quinolylsulfonyl)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=C2N=CC=C3)C4=CC=CC=C4O)CC=CCCC(=O)O

Isomeric SMILES

C1[C@H]([C@H](CN1S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C4=CC=CC=C4O)C/C=C\CCC(=O)O

InChI

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