200,000+ products from a single source!
sales@angenechem.com
188113-69-1 | 1H-Indole, 3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-5-[(1E)-2-(phenylsulfonyl)ethenyl]-, hydrobromide (1:1)
CAS No: 188113-69-1 Catalog No: AG002GPD MDL No:
Product Description
Catalog Number:
AG002GPD
Chemical Name:
1H-Indole, 3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-5-[(1E)-2-(phenylsulfonyl)ethenyl]-, hydrobromide (1:1)
CAS Number:
188113-69-1
Molecular Formula:
C22H25BrN2O2S
Molecular Weight:
461.4151
IUPAC Name:
5-[(E)-2-(benzenesulfonyl)ethenyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;hydrobromide
InChI:
InChI=1S/C22H24N2O2S.BrH/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20;/h2-4,7-11,13-14,16,19,23H,5-6,12,15H2,1H3;1H/b13-11+;/t19-;/m1./s1
InChI Key:
JMROSCOXMGJMKR-FIBBSPRZSA-N
SMILES:
CN1CCC[C@@H]1Cc1c[nH]c2c1cc(cc2)/C=C/S(=O)(=O)c1ccccc1.Br
Properties
Complexity:
621
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Exact Mass:
460.082g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
461.418g/mol
Monoisotopic Mass:
460.082g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.