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

Systemtic Name: 4-[[4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)phthalazin-1-yl]amino]benzamide Openeye Name: 4-[[4-[4-methyl-3-(1-piperidylsulfonyl)phenyl]phthalazin-1-yl]amino]benzamide CAS Name: 4-[[4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-phthalazinyl]amino]benzamide IUPAC Name: 4-[[4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-yl]amino]benzamide Traditional Name: 4-[[4-(4-methyl-3-piperidinosulfonyl-phenyl)phthalazin-1-yl]amino]benzamide Formula: C27H27N5O3S MolecularWeight: 501.59998

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

InChI

InChI=1S/C27H27N5O3S/c1-18-9-10-20(17-24(18)36(34,35)32-15-5-2-6-16-32)25-22-7-3-4-8-23(22)27(31-30-25)29-21-13-11-19(12-14-21)26(28)33/h3-4,7-14,17H,2,5-6,15-16H2,1H3,(H2,28,33)(H,29,31)