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Home > Indoles and Oxindole > 651335-12-5
651335-12-5 | 1H-Indole, 3-(phenylsulfonyl)-1-(3-piperidinylmethyl)-
CAS No: 651335-12-5 Catalog No: AG006QDY MDL No:
Product Description
Catalog Number:
AG006QDY
Chemical Name:
1H-Indole, 3-(phenylsulfonyl)-1-(3-piperidinylmethyl)-
CAS Number:
651335-12-5
Molecular Formula:
C20H22N2O2S
Molecular Weight:
354.4659
IUPAC Name:
3-(benzenesulfonyl)-1-(piperidin-3-ylmethyl)indole
InChI:
InChI=1S/C20H22N2O2S/c23-25(24,17-8-2-1-3-9-17)20-15-22(14-16-7-6-12-21-13-16)19-11-5-4-10-18(19)20/h1-5,8-11,15-16,21H,6-7,12-14H2
InChI Key:
LXOKVSKTLIJLDZ-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1cn(c2c1cccc2)CC1CCCNC1)c1ccccc1
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.14g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.468g/mol
Monoisotopic Mass:
354.14g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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