2-[1-[2-(3-azanyl-1,2-benzoxazol-5-yl)-5-(trifluoromethyl)pyrazol-3-yl]carbonyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl]benzenesulfonamide

Systemtic Name: 2-[1-[2-(3-azanyl-1,2-benzoxazol-5-yl)-5-(trifluoromethyl)pyrazol-3-yl]carbonyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl]benzenesulfonamide Openeye Name: 2-[1-[2-(3-amino-1,2-benzoxazol-5-yl)-5-(trifluoromethyl)pyrazole-3-carbonyl]-2,3,4,5-tetrahydro-1-benzazepin-7-yl]benzenesulfonamide CAS Name: 2-[1-[[2-(3-amino-1,2-benzoxazol-5-yl)-5-(trifluoromethyl)-3-pyrazolyl]-oxomethyl]-2,3,4,5-tetrahydro-1-benzazepin-7-yl]benzenesulfonamide IUPAC Name: 2-[1-[2-(3-amino-1,2-benzoxazol-5-yl)-5-(trifluoromethyl)pyrazole-3-carbonyl]-2,3,4,5-tetrahydro-1-benzazepin-7-yl]benzenesulfonamide Traditional Name: 2-[1-[2-(3-aminoindoxazen-5-yl)-5-(trifluoromethyl)pyrazole-3-carbonyl]-2,3,4,5-tetrahydro-1-benzazepin-7-yl]benzenesulfonamide Formula: C28H23F3N6O4S MolecularWeight: 596.58023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C2=C(C1)C=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)C(=O)C4=CC(=NN4C5=CC6=C(C=C5)ON=C6N)C(F)(F)F

Isomeric SMILES

C1CCN(C2=C(C1)C=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)C(=O)C4=CC(=NN4C5=CC6=C(C=C5)ON=C6N)C(F)(F)F

InChI

InChI=1S/C28H23F3N6O4S/c29-28(30,31)25-15-22(37(34-25)18-9-11-23-20(14-18)26(32)35-41-23)27(38)36-12-4-3-5-17-13-16(8-10-21(17)36)19-6-1-2-7-24(19)42(33,39)40/h1-2,6-11,13-15H,3-5,12H2,(H2,32,35)(H2,33,39,40)