N-(8-piperidin-1-ylsulfonyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)cyclohexanecarboxamide

Systemtic Name: N-(8-piperidin-1-ylsulfonyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)cyclohexanecarboxamide Openeye Name: N-[8-(1-piperidylsulfonyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]cyclohexanecarboxamide CAS Name: N-[8-(1-piperidinylsulfonyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]cyclohexanecarboxamide IUPAC Name: N-(8-piperidin-1-ylsulfonyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)cyclohexanecarboxamide Traditional Name: N-(8-piperidinosulfonyl-5H-[1,2,4]triazin[5,6-b]indol-3-yl)cyclohexanecarboxamide Formula: C21H26N6O3S MolecularWeight: 442.53454

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=NC3=C(C4=C(N3)C=CC(=C4)S(=O)(=O)N5CCCCC5)N=N2

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=NC3=C(C4=C(N3)C=CC(=C4)S(=O)(=O)N5CCCCC5)N=N2

InChI

InChI=1S/C21H26N6O3S/c28-20(14-7-3-1-4-8-14)24-21-23-19-18(25-26-21)16-13-15(9-10-17(16)22-19)31(29,30)27-11-5-2-6-12-27/h9-10,13-14H,1-8,11-12H2,(H2,22,23,24,26,28)