Catalog Number:
AG00J14B
Chemical Name:
1-(3-phenylpropyl)-1,4-diazepane bis(4-methylbenzenesulfonate)
CAS Number:
1255717-85-1
Molecular Formula:
C28H38N2O6S2
Molecular Weight:
562.7411
MDL Number:
MFCD13193847
IUPAC Name:
4-methylbenzenesulfonic acid;1-(3-phenylpropyl)-1,4-diazepane
InChI:
InChI=1S/C14H22N2.2C7H8O3S/c1-2-6-14(7-3-1)8-4-11-16-12-5-9-15-10-13-16;2*1-6-2-4-7(5-3-6)11(8,9)10/h1-3,6-7,15H,4-5,8-13H2;2*2-5H,1H3,(H,8,9,10)
InChI Key:
CWFJQBIACKKRJT-UHFFFAOYSA-N
SMILES:
N1CCCN(CC1)CCCc1ccccc1.Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O
