4-[[7-(6-chloranyl-2-fluoranyl-3-oxidanyl-phenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

Systemtic Name: 4-[[7-(6-chloranyl-2-fluoranyl-3-oxidanyl-phenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide Openeye Name: 4-[[7-(6-chloro-2-fluoro-3-hydroxy-phenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide CAS Name: 4-[[7-(6-chloro-2-fluoro-3-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-[2-(1-pyrrolidinyl)ethyl]benzenesulfonamide IUPAC Name: 4-[[7-(6-chloro-2-fluoro-3-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide Traditional Name: 4-[[7-(6-chloro-2-fluoro-3-hydroxy-phenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidinoethyl)benzenesulfonamide Formula: C26H26ClFN6O3S MolecularWeight: 557.039443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)C3=C(C=CC(=C3F)O)Cl)N=NC(=N2)NC4=CC=C(C=C4)S(=O)(=O)NCCN5CCCC5

Isomeric SMILES

CC1=C2C(=CC(=C1)C3=C(C=CC(=C3F)O)Cl)N=NC(=N2)NC4=CC=C(C=C4)S(=O)(=O)NCCN5CCCC5

InChI

InChI=1S/C26H26ClFN6O3S/c1-16-14-17(23-20(27)8-9-22(35)24(23)28)15-21-25(16)31-26(33-32-21)30-18-4-6-19(7-5-18)38(36,37)29-10-13-34-11-2-3-12-34/h4-9,14-15,29,35H,2-3,10-13H2,1H3,(H,30,31,33)