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

Systemtic Name: 4-[[4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)phthalazin-1-yl]amino]benzenesulfonamide Openeye Name: 4-[[4-[4-methyl-3-(1-piperidylsulfonyl)phenyl]phthalazin-1-yl]amino]benzenesulfonamide CAS Name: 4-[[4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-phthalazinyl]amino]benzenesulfonamide IUPAC Name: 4-[[4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-yl]amino]benzenesulfonamide Traditional Name: 4-[[4-(4-methyl-3-piperidinosulfonyl-phenyl)phthalazin-1-yl]amino]benzenesulfonamide Formula: C26H27N5O4S2 MolecularWeight: 537.65368

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

InChI

InChI=1S/C26H27N5O4S2/c1-18-9-10-19(17-24(18)37(34,35)31-15-5-2-6-16-31)25-22-7-3-4-8-23(22)26(30-29-25)28-20-11-13-21(14-12-20)36(27,32)33/h3-4,7-14,17H,2,5-6,15-16H2,1H3,(H,28,30)(H2,27,32,33)