4-[[4,6-bis[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-[4-(1H-indazol-6-ylsulfamoyl)phenyl]-2-oxidanyl-benzamide

Systemtic Name: 4-[[4,6-bis[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-[4-(1H-indazol-6-ylsulfamoyl)phenyl]-2-oxidanyl-benzamide Openeye Name: 4-[[4,6-bis(3,5-diamino-1-piperidyl)-1,3,5-triazin-2-yl]amino]-2-hydroxy-N-[4-(1H-indazol-6-ylsulfamoyl)phenyl]benzamide CAS Name: 4-[[4,6-bis(3,5-diamino-1-piperidinyl)-1,3,5-triazin-2-yl]amino]-2-hydroxy-N-[4-(1H-indazol-6-ylsulfamoyl)phenyl]benzamide IUPAC Name: 4-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxy-N-[4-(1H-indazol-6-ylsulfamoyl)phenyl]benzamide Traditional Name: 4-[[4,6-bis(3,5-diaminopiperidino)-s-triazin-2-yl]amino]-2-hydroxy-N-[4-(1H-indazol-6-ylsulfamoyl)phenyl]benzamide Formula: C33H40N14O4S MolecularWeight: 728.8271

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(CC1N)C2=NC(=NC(=N2)NC3=CC(=C(C=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=CC6=C(C=C5)C=NN6)O)N7CC(CC(C7)N)N)N

Isomeric SMILES

C1C(CN(CC1N)C2=NC(=NC(=N2)NC3=CC(=C(C=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=CC6=C(C=C5)C=NN6)O)N7CC(CC(C7)N)N)N

InChI

InChI=1S/C33H40N14O4S/c34-19-9-20(35)15-46(14-19)32-41-31(42-33(43-32)47-16-21(36)10-22(37)17-47)40-24-5-8-27(29(48)12-24)30(49)39-23-3-6-26(7-4-23)52(50,51)45-25-2-1-18-13-38-44-28(18)11-25/h1-8,11-13,19-22,45,48H,9-10,14-17,34-37H2,(H,38,44)(H,39,49)(H,40,41,42,43)