Catalog Number:
AG00J14D
Chemical Name:
1-(2-pyridinylmethyl)-1,4-diazepane tris(4-methylbenzenesulfonate)
CAS Number:
1184987-92-5
Molecular Formula:
C32H41N3O9S3
Molecular Weight:
707.8776
MDL Number:
MFCD11841230
IUPAC Name:
4-methylbenzenesulfonic acid;1-(pyridin-2-ylmethyl)-1,4-diazepane
InChI:
InChI=1S/C11H17N3.3C7H8O3S/c1-2-6-13-11(4-1)10-14-8-3-5-12-7-9-14;3*1-6-2-4-7(5-3-6)11(8,9)10/h1-2,4,6,12H,3,5,7-10H2;3*2-5H,1H3,(H,8,9,10)
InChI Key:
HFRIUEKDABSYOT-UHFFFAOYSA-N
SMILES:
N1CCCN(CC1)Cc1ccccn1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O
