3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-2H-phthalazine-1,4-dione CAS Name: 3-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[4-(4-methylpiperidino)sulfonylphenyl]-2H-phthalazine-1,4-quinone Formula: C20H21N3O4S MolecularWeight: 399.46344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C(=O)N3

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C20H21N3O4S/c1-14-10-12-22(13-11-14)28(26,27)16-8-6-15(7-9-16)23-20(25)18-5-3-2-4-17(18)19(24)21-23/h2-9,14H,10-13H2,1H3,(H,21,24)