N-butyl-2-methoxy-N-methyl-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide

Systemtic Name: N-butyl-2-methoxy-N-methyl-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide Openeye Name: N-butyl-2-methoxy-N-methyl-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide CAS Name: N-butyl-2-methoxy-N-methyl-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide IUPAC Name: N-butyl-2-methoxy-N-methyl-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide Traditional Name: N-butyl-2-methoxy-N-methyl-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)S(=O)(=O)C1=C(C=CC(=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)C)OC

Isomeric SMILES

CCCCN(C)S(=O)(=O)C1=C(C=CC(=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)C)OC

InChI

InChI=1S/C22H25N5O3S/c1-5-6-13-26(3)31(28,29)20-14-16(11-12-19(20)30-4)21-23-24-22-18-10-8-7-9-17(18)15(2)25-27(21)22/h7-12,14H,5-6,13H2,1-4H3