Home Sulfos Ethanone, 1-[3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-5-[(1E)-2-(phenylsulfonyl)ethenyl]-1H-indol-1-yl]-

Ethanone, 1-[3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-5-[(1E)-2-(phenylsulfonyl)ethenyl]-1H-indol-1-yl]-

CAS No.:
188113-71-5
Catalog Number:
AG002GPC
Molecular Formula:
C24H26N2O3S
Molecular Weight:
422.5398
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Product Description
Catalog Number:
AG002GPC
Chemical Name:
Ethanone, 1-[3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-5-[(1E)-2-(phenylsulfonyl)ethenyl]-1H-indol-1-yl]-
CAS Number:
188113-71-5
Molecular Formula:
C24H26N2O3S
Molecular Weight:
422.5398
MDL Number:
MFCD22989071
IUPAC Name:
1-[5-[(E)-2-(benzenesulfonyl)ethenyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]ethanone
InChI:
InChI=1S/C24H26N2O3S/c1-18(27)26-17-20(16-21-7-6-13-25(21)2)23-15-19(10-11-24(23)26)12-14-30(28,29)22-8-4-3-5-9-22/h3-5,8-12,14-15,17,21H,6-7,13,16H2,1-2H3/b14-12+/t21-/m1/s1
InChI Key:
MDVODIFOKYRNHD-ZISLFAKRSA-N
SMILES:
CN1CCC[C@@H]1Cc1cn(c2c1cc(cc2)/C=C/S(=O)(=O)c1ccccc1)C(=O)C
Properties
Complexity:
738  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
1  
Exact Mass:
422.166g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.543g/mol
Monoisotopic Mass:
422.166g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties