5-[4-[(4-methoxy-3-piperidin-1-ylcarbonyl-phenyl)amino]phthalazin-1-yl]-2-methyl-benzenesulfonamide

Systemtic Name: 5-[4-[(4-methoxy-3-piperidin-1-ylcarbonyl-phenyl)amino]phthalazin-1-yl]-2-methyl-benzenesulfonamide Openeye Name: 5-[4-[4-methoxy-3-(piperidine-1-carbonyl)anilino]phthalazin-1-yl]-2-methyl-benzenesulfonamide CAS Name: 5-[4-[4-methoxy-3-[oxo(1-piperidinyl)methyl]anilino]-1-phthalazinyl]-2-methylbenzenesulfonamide IUPAC Name: 5-[4-[4-methoxy-3-(piperidine-1-carbonyl)anilino]phthalazin-1-yl]-2-methylbenzenesulfonamide Traditional Name: 5-[4-[4-methoxy-3-(piperidine-1-carbonyl)anilino]phthalazin-1-yl]-2-methyl-benzenesulfonamide Formula: C28H29N5O4S MolecularWeight: 531.62596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=C(C=C4)OC)C(=O)N5CCCCC5)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=C(C=C4)OC)C(=O)N5CCCCC5)S(=O)(=O)N

InChI

InChI=1S/C28H29N5O4S/c1-18-10-11-19(16-25(18)38(29,35)36)26-21-8-4-5-9-22(21)27(32-31-26)30-20-12-13-24(37-2)23(17-20)28(34)33-14-6-3-7-15-33/h4-5,8-13,16-17H,3,6-7,14-15H2,1-2H3,(H,30,32)(H2,29,35,36)