2-methyl-N-[(5-methylfuran-2-yl)methyl]-5-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide

Systemtic Name: 2-methyl-N-[(5-methylfuran-2-yl)methyl]-5-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide Openeye Name: 2-methyl-N-[(5-methyl-2-furyl)methyl]-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide CAS Name: 2-methyl-N-[(5-methyl-2-furanyl)methyl]-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide IUPAC Name: 2-methyl-N-[(5-methylfuran-2-yl)methyl]-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide Traditional Name: 5-(4-keto-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-2-methyl-N-[(5-methyl-2-furyl)methyl]benzenesulfonamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NNC(=O)C3=C2CCCC3)S(=O)(=O)NCC4=CC=C(O4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=O)C3=C2CCCC3)S(=O)(=O)NCC4=CC=C(O4)C

InChI

InChI=1S/C21H23N3O4S/c1-13-7-9-15(20-17-5-3-4-6-18(17)21(25)24-23-20)11-19(13)29(26,27)22-12-16-10-8-14(2)28-16/h7-11,22H,3-6,12H2,1-2H3,(H,24,25)