Synonyms
N-[(11bS)-4,5-Dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepin-2-yl]trifluoromethanesulfonamide;871915-77-4;SCHEMBL14847735;D4663;(aS)-2-(Trifluoromethylsulfonylamino)-3,5-dihydro-4H-dinaphtho[2,1-c:1',2'-e]azepine;3-(Trifluoromethanesulfonylamino)-2,2'-(iminobismethylene)-1,1'-binaphthalene;
IUPAC Name
N-(13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl)-1,1,1-trifluoromethanesulfonamide;
Molecular Weight
442.456g/mol
Molecular Formula
C23H17F3N2O2S;
Canonical SMILES
C1C2=C(C3=CC=CC=C3C=C2)C4=C(CN1)C(=CC5=CC=CC=C54)NS(=O)(=O)C(F)(F)F;
InChI
InChI=1S/C23H17F3N2O2S/c24-23(25,26)31(29,30)28-20-11-15-6-2-4-8-18(15)22-19(20)13-27-12-16-10-9-14-5-1-3-7-17(14)21(16)22/h1-11,27-28H,12-13H2;
InChI Key
FUXIMCCGGZIJJQ-UHFFFAOYSA-N;
Complexity
753
Covalently-Bonded Unit Count
1
Exact Mass
442.096g/mol
H-Bond Acceptor
7
H-Bond Donor
2
Heavy Atom Count
31
Monoisotopic Mass
442.096g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
66.6A^2
