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100077-74-5 | Benzenesulfonamide, 5-[5-[4-(2-methoxyphenyl)-1-piperazinyl]-1-oxopentyl]-2-(methylthio)-
CAS No: 100077-74-5 Catalog No: AG0000TR MDL No:
Product Description
Catalog Number:
AG0000TR
Chemical Name:
Benzenesulfonamide, 5-[5-[4-(2-methoxyphenyl)-1-piperazinyl]-1-oxopentyl]-2-(methylthio)-
CAS Number:
100077-74-5
Molecular Formula:
C23H31N3O4S2
Molecular Weight:
477.6399
IUPAC Name:
5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfanylbenzenesulfonamide
InChI:
InChI=1S/C23H31N3O4S2/c1-30-21-9-4-3-7-19(21)26-15-13-25(14-16-26)12-6-5-8-20(27)18-10-11-22(31-2)23(17-18)32(24,28)29/h3-4,7,9-11,17H,5-6,8,12-16H2,1-2H3,(H2,24,28,29)
InChI Key:
RNMZMYMLULKNDY-UHFFFAOYSA-N
SMILES:
COc1ccccc1N1CCN(CC1)CCCCC(=O)c1ccc(c(c1)S(=O)(=O)N)SC
Properties
Complexity:
692
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
477.176g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
477.638g/mol
Monoisotopic Mass:
477.176g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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