4-[4-[3-[[2,6-bis(chloranyl)phenyl]methyl]-7-oxidanylidene-2H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]piperidin-1-yl]sulfonyl-N-cyclohexyl-benzenesulfonamide

Systemtic Name: 4-[4-[3-[[2,6-bis(chloranyl)phenyl]methyl]-7-oxidanylidene-2H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]piperidin-1-yl]sulfonyl-N-cyclohexyl-benzenesulfonamide Openeye Name: N-cyclohexyl-4-[[4-[3-[(2,6-dichlorophenyl)methyl]-7-oxo-2H-triazolo[4,5-d]pyrimidin-5-yl]-1-piperidyl]sulfonyl]benzenesulfonamide CAS Name: N-cyclohexyl-4-[[4-[3-[(2,6-dichlorophenyl)methyl]-7-oxo-2H-triazolo[4,5-d]pyrimidin-5-yl]-1-piperidinyl]sulfonyl]benzenesulfonamide IUPAC Name: N-cyclohexyl-4-[4-[3-[(2,6-dichlorophenyl)methyl]-7-oxo-2H-triazolo[4,5-d]pyrimidin-5-yl]piperidin-1-yl]sulfonylbenzenesulfonamide Traditional Name: N-cyclohexyl-4-[4-[3-(2,6-dichlorobenzyl)-7-keto-2H-triazolo[4,5-d]pyrimidin-5-yl]piperidino]sulfonyl-benzenesulfonamide Formula: C28H31Cl2N7O5S2 MolecularWeight: 680.62564

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C4=NC(=O)C5=NNN(C5=N4)CC6=C(C=CC=C6Cl)Cl

Isomeric SMILES

C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C4=NC(=O)C5=NNN(C5=N4)CC6=C(C=CC=C6Cl)Cl

InChI

InChI=1S/C28H31Cl2N7O5S2/c29-23-7-4-8-24(30)22(23)17-37-27-25(33-35-37)28(38)32-26(31-27)18-13-15-36(16-14-18)44(41,42)21-11-9-20(10-12-21)43(39,40)34-19-5-2-1-3-6-19/h4,7-12,18-19,34-35H,1-3,5-6,13-17H2