Catalog Number:
AG00J14L
Chemical Name:
1-(3-Pyridinylmethyl)-1,4-diazepane tris(4-methylbenzenesulfonate)
CAS Number:
1185063-46-0
Molecular Formula:
C32H41N3O9S3
Molecular Weight:
707.8776
MDL Number:
MFCD11841232
IUPAC Name:
4-methylbenzenesulfonic acid;1-(pyridin-3-ylmethyl)-1,4-diazepane
InChI:
InChI=1S/C11H17N3.3C7H8O3S/c1-3-11(9-13-4-1)10-14-7-2-5-12-6-8-14;3*1-6-2-4-7(5-3-6)11(8,9)10/h1,3-4,9,12H,2,5-8,10H2;3*2-5H,1H3,(H,8,9,10)
InChI Key:
KWPLTHBDKWRXAX-UHFFFAOYSA-N
SMILES:
N1CCCN(CC1)Cc1cccnc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O
