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

Systemtic Name: N-[4-[[4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)phthalazin-1-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[4-[4-methyl-3-(1-piperidylsulfonyl)phenyl]phthalazin-1-yl]amino]phenyl]acetamide CAS Name: N-[4-[[4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-phthalazinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-yl]amino]phenyl]acetamide Traditional Name: N-[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)NC(=O)C)S(=O)(=O)N5CCCCC5

Isomeric SMILES

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

InChI

InChI=1S/C28H29N5O3S/c1-19-10-11-21(18-26(19)37(35,36)33-16-6-3-7-17-33)27-24-8-4-5-9-25(24)28(32-31-27)30-23-14-12-22(13-15-23)29-20(2)34/h4-5,8-15,18H,3,6-7,16-17H2,1-2H3,(H,29,34)(H,30,32)