Analyte Name

(1R,5R)-9-(3-Fluorophenylsulfonamido)-N-(4-methoxyphenyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide

CAS Number

1212734-12-7

Molecular Formula

C25 H25 F N4 O5 S

Molecular Weight

512.553

Accurate Mass

512.153

SMILES

COc1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)C4=CC=C(NS(=O)(=O)c5cccc(F)c5)C(=O)N4C3)cc1

InChI

InChI=1S/C25H25FN4O5S/c1-35-20-7-5-19(6-8-20)27-25(32)29-13-16-11-17(15-29)23-10-9-22(24(31)30(23)14-16)28-36(33,34)21-4-2-3-18(26)12-21/h2-10,12,16-17,28H,11,13-15H2,1H3,(H,27,32)/t16-,17+/m0/s1

IUPAC

(1R,9R)-5-[(3-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat