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

Systemtic Name: N-butyl-N,2-dimethyl-5-(3-methyl-4-oxidanylidene-phthalazin-1-yl)benzenesulfonamide Openeye Name: N-butyl-N,2-dimethyl-5-(3-methyl-4-oxo-phthalazin-1-yl)benzenesulfonamide CAS Name: N-butyl-N,2-dimethyl-5-(3-methyl-4-oxo-1-phthalazinyl)benzenesulfonamide IUPAC Name: N-butyl-N,2-dimethyl-5-(3-methyl-4-oxophthalazin-1-yl)benzenesulfonamide Traditional Name: N-butyl-5-(4-keto-3-methyl-phthalazin-1-yl)-N,2-dimethyl-benzenesulfonamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-5-6-13-23(3)28(26,27)19-14-16(12-11-15(19)2)20-17-9-7-8-10-18(17)21(25)24(4)22-20/h7-12,14H,5-6,13H2,1-4H3