1-(4-methylphenyl)sulfonyl-N-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]pyrrolidine-2-carboxamide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]pyrrolidine-2-carboxamide Openeye Name: N-[(4-oxo-3H-phthalazin-1-yl)methyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrrolidine-2-carboxamide Traditional Name: N-[(4-keto-3H-phthalazin-1-yl)methyl]-1-tosyl-pyrrolidine-2-carboxamide Formula: C21H22N4O4S MolecularWeight: 426.48878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H22N4O4S/c1-14-8-10-15(11-9-14)30(28,29)25-12-4-7-19(25)21(27)22-13-18-16-5-2-3-6-17(16)20(26)24-23-18/h2-3,5-6,8-11,19H,4,7,12-13H2,1H3,(H,22,27)(H,24,26)