Catalog Number:
AG00J14G
Chemical Name:
1-(4-pyridinylmethyl)-1,4-diazepane tris(4-methylbenzenesulfonate)
CAS Number:
1185553-75-6
Molecular Formula:
C32H41N3O9S3
Molecular Weight:
707.8776
MDL Number:
MFCD11841231
IUPAC Name:
4-methylbenzenesulfonic acid;1-(pyridin-4-ylmethyl)-1,4-diazepane
InChI:
InChI=1S/C11H17N3.3C7H8O3S/c1-4-12-7-9-14(8-1)10-11-2-5-13-6-3-11;3*1-6-2-4-7(5-3-6)11(8,9)10/h2-3,5-6,12H,1,4,7-10H2;3*2-5H,1H3,(H,8,9,10)
InChI Key:
NCFKRNIACVYSSO-UHFFFAOYSA-N
SMILES:
N1CCCN(CC1)Cc1ccncc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O
