Synonyms
1440939-88-7;(S)-N-8-Quinolinesulfonyl-(quinolin-4-yl)(8-vinylquinuclidin-2-yl)methanamine;ZINC96029571;(8alpha,9S)-N-(8-Quinolinylsulfonyl)cinchonan-9-amine;
IUPAC Name
N-[(S)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl]quinoline-8-sulfonamide;
Molecular Weight
484.618g/mol
Molecular Formula
C28H28N4O2S;
Canonical SMILES
C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)NS(=O)(=O)C5=CC=CC6=C5N=CC=C6;
InChI
InChI=1S/C28H28N4O2S/c1-2-19-18-32-16-13-21(19)17-25(32)28(23-12-15-29-24-10-4-3-9-22(23)24)31-35(33,34)26-11-5-7-20-8-6-14-30-27(20)26/h2-12,14-15,19,21,25,28,31H,1,13,16-18H2/t19-,21-,25-,28-/m0/s1;
InChI Key
RNPQJTUCXSVJMB-YTVPYFAMSA-N;
Complexity
860
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
4
Exact Mass
484.193g/mol
H-Bond Acceptor
6
H-Bond Donor
1
Heavy Atom Count
35
Monoisotopic Mass
484.193g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
83.6A^2
