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

Systemtic Name: N-tert-butyl-2-methyl-5-[4-[(phenylmethyl)amino]phthalazin-1-yl]benzenesulfonamide Openeye Name: 5-[4-(benzylamino)phthalazin-1-yl]-N-tert-butyl-2-methyl-benzenesulfonamide CAS Name: N-tert-butyl-2-methyl-5-[4-[(phenylmethyl)amino]-1-phthalazinyl]benzenesulfonamide IUPAC Name: 5-[4-(benzylamino)phthalazin-1-yl]-N-tert-butyl-2-methylbenzenesulfonamide Traditional Name: 5-[4-(benzylamino)phthalazin-1-yl]-N-tert-butyl-2-methyl-benzenesulfonamide Formula: C26H28N4O2S MolecularWeight: 460.59112

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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)NC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O2S/c1-18-14-15-20(16-23(18)33(31,32)30-26(2,3)4)24-21-12-8-9-13-22(21)25(29-28-24)27-17-19-10-6-5-7-11-19/h5-16,30H,17H2,1-4H3,(H,27,29)