2-[4-[[4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)phthalazin-1-yl]amino]phenyl]ethanamide

Systemtic Name: 2-[4-[[4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)phthalazin-1-yl]amino]phenyl]ethanamide Openeye Name: 2-[4-[[4-[4-methyl-3-(1-piperidylsulfonyl)phenyl]phthalazin-1-yl]amino]phenyl]acetamide CAS Name: 2-[4-[[4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-phthalazinyl]amino]phenyl]acetamide IUPAC Name: 2-[4-[[4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-yl]amino]phenyl]acetamide Traditional Name: 2-[4-[[4-(4-methyl-3-piperidinosulfonyl-phenyl)phthalazin-1-yl]amino]phenyl]acetamide Formula: C28H29N5O3S MolecularWeight: 515.62656

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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)CC(=O)N)S(=O)(=O)N5CCCCC5

Isomeric SMILES

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

InChI

InChI=1S/C28H29N5O3S/c1-19-9-12-21(18-25(19)37(35,36)33-15-5-2-6-16-33)27-23-7-3-4-8-24(23)28(32-31-27)30-22-13-10-20(11-14-22)17-26(29)34/h3-4,7-14,18H,2,5-6,15-17H2,1H3,(H2,29,34)(H,30,32)