2-[1-[2-(3-azanyl-1,2-benzoxazol-5-yl)-5-(trifluoromethyl)pyrazol-3-yl]carbonyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepin-7-yl]benzenesulfonamide

Systemtic Name: 2-[1-[2-(3-azanyl-1,2-benzoxazol-5-yl)-5-(trifluoromethyl)pyrazol-3-yl]carbonyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepin-7-yl]benzenesulfonamide Openeye Name: 2-[1-[2-(3-amino-1,2-benzoxazol-5-yl)-5-(trifluoromethyl)pyrazole-3-carbonyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepin-7-yl]benzenesulfonamide CAS Name: 2-[1-[[2-(3-amino-1,2-benzoxazol-5-yl)-5-(trifluoromethyl)-3-pyrazolyl]-oxomethyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepin-7-yl]benzenesulfonamide IUPAC Name: 2-[1-[2-(3-amino-1,2-benzoxazol-5-yl)-5-(trifluoromethyl)pyrazole-3-carbonyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepin-7-yl]benzenesulfonamide Traditional Name: 2-[1-[2-(3-aminoindoxazen-5-yl)-5-(trifluoromethyl)pyrazole-3-carbonyl]-4-keto-3,5-dihydro-2H-1,5-benzodiazepin-7-yl]benzenesulfonamide Formula: C27H20F3N7O5S MolecularWeight: 611.55181

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(C=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)NC1=O)C(=O)C4=CC(=NN4C5=CC6=C(C=C5)ON=C6N)C(F)(F)F

Isomeric SMILES

C1CN(C2=C(C=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)NC1=O)C(=O)C4=CC(=NN4C5=CC6=C(C=C5)ON=C6N)C(F)(F)F

InChI

InChI=1S/C27H20F3N7O5S/c28-27(29,30)23-13-20(37(34-23)15-6-8-21-17(12-15)25(31)35-42-21)26(39)36-10-9-24(38)33-18-11-14(5-7-19(18)36)16-3-1-2-4-22(16)43(32,40)41/h1-8,11-13H,9-10H2,(H2,31,35)(H,33,38)(H2,32,40,41)