N-butyl-N,2-dimethyl-5-(4-oxidanylidene-3H-phthalazin-1-yl)benzenesulfonamide

Systemtic Name: N-butyl-N,2-dimethyl-5-(4-oxidanylidene-3H-phthalazin-1-yl)benzenesulfonamide Openeye Name: N-butyl-N,2-dimethyl-5-(4-oxo-3H-phthalazin-1-yl)benzenesulfonamide CAS Name: N-butyl-N,2-dimethyl-5-(4-oxo-3H-phthalazin-1-yl)benzenesulfonamide IUPAC Name: N-butyl-N,2-dimethyl-5-(4-oxo-3H-phthalazin-1-yl)benzenesulfonamide Traditional Name: N-butyl-5-(4-keto-3H-phthalazin-1-yl)-N,2-dimethyl-benzenesulfonamide Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)S(=O)(=O)C1=C(C=CC(=C1)C2=NNC(=O)C3=CC=CC=C32)C

Isomeric SMILES

CCCCN(C)S(=O)(=O)C1=C(C=CC(=C1)C2=NNC(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C20H23N3O3S/c1-4-5-12-23(3)27(25,26)18-13-15(11-10-14(18)2)19-16-8-6-7-9-17(16)20(24)22-21-19/h6-11,13H,4-5,12H2,1-3H3,(H,22,24)