2-methyl-5-[4-[(phenylmethyl)amino]phthalazin-1-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide

Systemtic Name: 2-methyl-5-[4-[(phenylmethyl)amino]phthalazin-1-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide Openeye Name: 5-[4-(benzylamino)phthalazin-1-yl]-2-methyl-N-(3-pyridylmethyl)benzenesulfonamide CAS Name: 2-methyl-5-[4-[(phenylmethyl)amino]-1-phthalazinyl]-N-(3-pyridinylmethyl)benzenesulfonamide IUPAC Name: 5-[4-(benzylamino)phthalazin-1-yl]-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide Traditional Name: 5-[4-(benzylamino)phthalazin-1-yl]-2-methyl-N-(3-pyridylmethyl)benzenesulfonamide Formula: C28H25N5O2S MolecularWeight: 495.5954

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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)NCC5=CN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCC4=CC=CC=C4)S(=O)(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C28H25N5O2S/c1-20-13-14-23(16-26(20)36(34,35)31-19-22-10-7-15-29-17-22)27-24-11-5-6-12-25(24)28(33-32-27)30-18-21-8-3-2-4-9-21/h2-17,31H,18-19H2,1H3,(H,30,33)