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

Systemtic Name: 4-[[7-(2-bromanyl-5-oxidanyl-phenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide Openeye Name: 4-[[7-(2-bromo-5-hydroxy-phenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide CAS Name: 4-[[7-(2-bromo-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-[2-(1-pyrrolidinyl)ethyl]benzenesulfonamide IUPAC Name: 4-[[7-(2-bromo-5-hydroxyphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide Traditional Name: 4-[[7-(2-bromo-5-hydroxy-phenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidinoethyl)benzenesulfonamide Formula: C26H27BrN6O3S MolecularWeight: 583.49998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27BrN6O3S/c1-17-14-18(22-16-20(34)6-9-23(22)27)15-24-25(17)30-26(32-31-24)29-19-4-7-21(8-5-19)37(35,36)28-10-13-33-11-2-3-12-33/h4-9,14-16,28,34H,2-3,10-13H2,1H3,(H,29,30,32)