Product Name :
GR 125487 sulfamate
Specifications & Purity :
≥97%(HPLC)
CAS :
859502-43-5
Formula:
C19H26FN3O5S•H2NSO3H
Molecular Weight :
524.58
MDL number:
Synonyms :
5-Fluoro-2-methoxy-[1-[2-[(methylsulfonyl)amino]ethyl]-4-piperidinyl]-1H-indole-3-methylcarboxylate sulfamate
Shipped In:
Normal
IUPAC Name :
[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl 5-fluoro-2-methoxy-1H-indole-3-carboxylate;sulfamic acid
INCHI :
InChI=1S/C19H26FN3O5S.H3NO3S/c1-27-18-17(15-11-14(20)3-4-16(15)22-18)19(24)28-12-13-5-8-23(9-6-13)10-7-21-29(2,25)26;1-5(2,3)4/h3-4,11,13,21-22H,5-10,12H2,1-2H3;(H3,1,2,3,4)
InChi Key:
VQJFDBXITIOGJM-UHFFFAOYSA-N
Canonical SMILES:
COC1=C(C2=C(N1)C=CC(=C2)F)C(=O)OCC3CCN(CC3)CCNS(=O)(=O)C.NS(=O)(=O)O
Isomeric SMILES:
COC1=C(C2=C(N1)C=CC(=C2)F)C(=O)OCC3CCN(CC3)CCNS(=O)(=O)C.NS(=O)(=O)O
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