2-[1-[2-(3-azanyl-1,2-benzoxazol-5-yl)-5-(trifluoromethyl)pyrazol-3-yl]carbonyl-2,3,4,5-tetrahydro-1,5-benzodiazepin-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-1,5-benzodiazepin-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-1,5-benzodiazepin-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-1,5-benzodiazepin-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-1,5-benzodiazepin-7-yl]benzenesulfonamide Traditional Name: 2-[1-[2-(3-aminoindoxazen-5-yl)-5-(trifluoromethyl)pyrazole-3-carbonyl]-2,3,4,5-tetrahydro-1,5-benzodiazepin-7-yl]benzenesulfonamide Formula: C27H22F3N7O4S MolecularWeight: 597.56829

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC2=C(C=CC(=C2)C3=CC=CC=C3S(=O)(=O)N)N(C1)C(=O)C4=CC(=NN4C5=CC6=C(C=C5)ON=C6N)C(F)(F)F

Isomeric SMILES

C1CNC2=C(C=CC(=C2)C3=CC=CC=C3S(=O)(=O)N)N(C1)C(=O)C4=CC(=NN4C5=CC6=C(C=C5)ON=C6N)C(F)(F)F

InChI

InChI=1S/C27H22F3N7O4S/c28-27(29,30)24-14-21(37(34-24)16-7-9-22-18(13-16)25(31)35-41-22)26(38)36-11-3-10-33-19-12-15(6-8-20(19)36)17-4-1-2-5-23(17)42(32,39)40/h1-2,4-9,12-14,33H,3,10-11H2,(H2,31,35)(H2,32,39,40)