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

Systemtic Name: 4-[[4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)phthalazin-1-yl]amino]-N-phenyl-benzamide Openeye Name: 4-[[4-[4-methyl-3-(1-piperidylsulfonyl)phenyl]phthalazin-1-yl]amino]-N-phenyl-benzamide CAS Name: 4-[[4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-phthalazinyl]amino]-N-phenylbenzamide IUPAC Name: 4-[[4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-yl]amino]-N-phenylbenzamide Traditional Name: 4-[[4-(4-methyl-3-piperidinosulfonyl-phenyl)phthalazin-1-yl]amino]-N-phenyl-benzamide Formula: C33H31N5O3S MolecularWeight: 577.69594

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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)NC5=CC=CC=C5)S(=O)(=O)N6CCCCC6

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5)S(=O)(=O)N6CCCCC6

InChI

InChI=1S/C33H31N5O3S/c1-23-14-15-25(22-30(23)42(40,41)38-20-8-3-9-21-38)31-28-12-6-7-13-29(28)32(37-36-31)34-27-18-16-24(17-19-27)33(39)35-26-10-4-2-5-11-26/h2,4-7,10-19,22H,3,8-9,20-21H2,1H3,(H,34,37)(H,35,39)