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

Systemtic Name: 5-[4-[(4-methoxy-3-piperidin-1-ylcarbonyl-phenyl)amino]phthalazin-1-yl]-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide Openeye Name: 5-[4-[4-methoxy-3-(piperidine-1-carbonyl)anilino]phthalazin-1-yl]-2-methyl-N-(tetrahydrofuran-2-ylmethyl)benzenesulfonamide CAS Name: 5-[4-[4-methoxy-3-[oxo(1-piperidinyl)methyl]anilino]-1-phthalazinyl]-2-methyl-N-(2-oxolanylmethyl)benzenesulfonamide IUPAC Name: 5-[4-[4-methoxy-3-(piperidine-1-carbonyl)anilino]phthalazin-1-yl]-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide Traditional Name: 5-[4-[4-methoxy-3-(piperidine-1-carbonyl)anilino]phthalazin-1-yl]-2-methyl-N-(tetrahydrofurfuryl)benzenesulfonamide Formula: C33H37N5O5S MolecularWeight: 615.74238

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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)NCC6CCCO6

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)NCC6CCCO6

InChI

InChI=1S/C33H37N5O5S/c1-22-12-13-23(19-30(22)44(40,41)34-21-25-9-8-18-43-25)31-26-10-4-5-11-27(26)32(37-36-31)35-24-14-15-29(42-2)28(20-24)33(39)38-16-6-3-7-17-38/h4-5,10-15,19-20,25,34H,3,6-9,16-18,21H2,1-2H3,(H,35,37)