2-methoxy-5-[[4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)phthalazin-1-yl]amino]benzamide

Systemtic Name: 2-methoxy-5-[[4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)phthalazin-1-yl]amino]benzamide Openeye Name: 2-methoxy-5-[[4-[4-methyl-3-(1-piperidylsulfonyl)phenyl]phthalazin-1-yl]amino]benzamide CAS Name: 2-methoxy-5-[[4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-phthalazinyl]amino]benzamide IUPAC Name: 2-methoxy-5-[[4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-yl]amino]benzamide Traditional Name: 2-methoxy-5-[[4-(4-methyl-3-piperidinosulfonyl-phenyl)phthalazin-1-yl]amino]benzamide Formula: C28H29N5O4S MolecularWeight: 531.62596

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

InChI

InChI=1S/C28H29N5O4S/c1-18-10-11-19(16-25(18)38(35,36)33-14-6-3-7-15-33)26-21-8-4-5-9-22(21)28(32-31-26)30-20-12-13-24(37-2)23(17-20)27(29)34/h4-5,8-13,16-17H,3,6-7,14-15H2,1-2H3,(H2,29,34)(H,30,32)