4-[7-imidazol-1-yl-2,3-bis(oxidanylidene)-6-(trifluoromethyl)-4H-quinoxalin-1-yl]butylsulfamic acid

Systemtic Name: 4-[7-imidazol-1-yl-2,3-bis(oxidanylidene)-6-(trifluoromethyl)-4H-quinoxalin-1-yl]butylsulfamic acid Openeye Name: 4-[7-imidazol-1-yl-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]butylsulfamic acid CAS Name: 4-[7-(1-imidazolyl)-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]butylsulfamic acid IUPAC Name: 4-[7-imidazol-1-yl-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]butylsulfamic acid Traditional Name: 4-[7-imidazol-1-yl-2,3-diketo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]butylsulfamic acid Formula: C16H16F3N5O5S MolecularWeight: 447.38895

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)C2=CC3=C(C=C2C(F)(F)F)NC(=O)C(=O)N3CCCCNS(=O)(=O)O

Isomeric SMILES

C1=CN(C=N1)C2=CC3=C(C=C2C(F)(F)F)NC(=O)C(=O)N3CCCCNS(=O)(=O)O

InChI

InChI=1S/C16H16F3N5O5S/c17-16(18,19)10-7-11-13(8-12(10)23-6-4-20-9-23)24(15(26)14(25)22-11)5-2-1-3-21-30(27,28)29/h4,6-9,21H,1-3,5H2,(H,22,25)(H,27,28,29)