2-methyl-5-[4-[(phenylmethyl)amino]phthalazin-1-yl]benzenesulfonamide

Systemtic Name: 2-methyl-5-[4-[(phenylmethyl)amino]phthalazin-1-yl]benzenesulfonamide Openeye Name: 5-[4-(benzylamino)phthalazin-1-yl]-2-methyl-benzenesulfonamide CAS Name: 2-methyl-5-[4-[(phenylmethyl)amino]-1-phthalazinyl]benzenesulfonamide IUPAC Name: 5-[4-(benzylamino)phthalazin-1-yl]-2-methylbenzenesulfonamide Traditional Name: 5-[4-(benzylamino)phthalazin-1-yl]-2-methyl-benzenesulfonamide Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCC4=CC=CC=C4)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCC4=CC=CC=C4)S(=O)(=O)N

InChI

InChI=1S/C22H20N4O2S/c1-15-11-12-17(13-20(15)29(23,27)28)21-18-9-5-6-10-19(18)22(26-25-21)24-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,24,26)(H2,23,27,28)