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

Systemtic Name: N-tert-butyl-5-[4-[(4-methoxy-3-piperidin-1-ylcarbonyl-phenyl)amino]phthalazin-1-yl]-2-methyl-benzenesulfonamide Openeye Name: N-tert-butyl-5-[4-[4-methoxy-3-(piperidine-1-carbonyl)anilino]phthalazin-1-yl]-2-methyl-benzenesulfonamide CAS Name: N-tert-butyl-5-[4-[4-methoxy-3-[oxo(1-piperidinyl)methyl]anilino]-1-phthalazinyl]-2-methylbenzenesulfonamide IUPAC Name: N-tert-butyl-5-[4-[4-methoxy-3-(piperidine-1-carbonyl)anilino]phthalazin-1-yl]-2-methylbenzenesulfonamide Traditional Name: N-tert-butyl-5-[4-[4-methoxy-3-(piperidine-1-carbonyl)anilino]phthalazin-1-yl]-2-methyl-benzenesulfonamide Formula: C32H37N5O4S MolecularWeight: 587.73228

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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)NC(C)(C)C

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)NC(C)(C)C

InChI

InChI=1S/C32H37N5O4S/c1-21-13-14-22(19-28(21)42(39,40)36-32(2,3)4)29-24-11-7-8-12-25(24)30(35-34-29)33-23-15-16-27(41-5)26(20-23)31(38)37-17-9-6-10-18-37/h7-8,11-16,19-20,36H,6,9-10,17-18H2,1-5H3,(H,33,35)