2-methyl-5-(3-methyl-4-oxidanylidene-phthalazin-1-yl)-N-(1-oxidanylbutan-2-yl)benzenesulfonamide

Systemtic Name: 2-methyl-5-(3-methyl-4-oxidanylidene-phthalazin-1-yl)-N-(1-oxidanylbutan-2-yl)benzenesulfonamide Openeye Name: N-[1-(hydroxymethyl)propyl]-2-methyl-5-(3-methyl-4-oxo-phthalazin-1-yl)benzenesulfonamide CAS Name: N-(1-hydroxybutan-2-yl)-2-methyl-5-(3-methyl-4-oxo-1-phthalazinyl)benzenesulfonamide IUPAC Name: N-(1-hydroxybutan-2-yl)-2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)benzenesulfonamide Traditional Name: 5-(4-keto-3-methyl-phthalazin-1-yl)-2-methyl-N-(1-methylolpropyl)benzenesulfonamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NS(=O)(=O)C1=C(C=CC(=C1)C2=NN(C(=O)C3=CC=CC=C32)C)C

Isomeric SMILES

CCC(CO)NS(=O)(=O)C1=C(C=CC(=C1)C2=NN(C(=O)C3=CC=CC=C32)C)C

InChI

InChI=1S/C20H23N3O4S/c1-4-15(12-24)22-28(26,27)18-11-14(10-9-13(18)2)19-16-7-5-6-8-17(16)20(25)23(3)21-19/h5-11,15,22,24H,4,12H2,1-3H3