2-[[2-[(4-fluoranylphenoxy)methyl]-1,3-thiazol-4-yl]methoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-[[2-[(4-fluoranylphenoxy)methyl]-1,3-thiazol-4-yl]methoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-[[2-[(4-fluorophenoxy)methyl]thiazol-4-yl]methoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-[[2-[(4-fluorophenoxy)methyl]-4-thiazolyl]methoxy]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-[[2-[(4-fluorophenoxy)methyl]thiazol-4-yl]methoxy]-5-pyrrolidinosulfonyl-benzamide Formula: C22H22FN3O5S2 MolecularWeight: 491.555583

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC3=CSC(=N3)COC4=CC=C(C=C4)F)C(=O)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC3=CSC(=N3)COC4=CC=C(C=C4)F)C(=O)N

InChI

InChI=1S/C22H22FN3O5S2/c23-15-3-5-17(6-4-15)30-13-21-25-16(14-32-21)12-31-20-8-7-18(11-19(20)22(24)27)33(28,29)26-9-1-2-10-26/h3-8,11,14H,1-2,9-10,12-13H2,(H2,24,27)