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

Systemtic Name: 2-methyl-5-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide Openeye Name: N-[(4-isopropylphenyl)methyl]-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide CAS Name: 2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide IUPAC Name: 2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide Traditional Name: N-(4-isopropylbenzyl)-5-(4-keto-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-2-methyl-benzenesulfonamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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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(C=C4)C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=O)C3=C2CCCC3)S(=O)(=O)NCC4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C25H29N3O3S/c1-16(2)19-12-9-18(10-13-19)15-26-32(30,31)23-14-20(11-8-17(23)3)24-21-6-4-5-7-22(21)25(29)28-27-24/h8-14,16,26H,4-7,15H2,1-3H3,(H,28,29)