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-cyclopentyl-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-cyclopentyl-benzenesulfonamide Openeye Name: N-cyclopentyl-4-[[4-[3-[(2,6-dichlorophenyl)methyl]-7-oxo-2H-triazolo[4,5-d]pyrimidin-5-yl]-1-piperidyl]sulfonyl]benzenesulfonamide CAS Name: N-cyclopentyl-4-[[4-[3-[(2,6-dichlorophenyl)methyl]-7-oxo-2H-triazolo[4,5-d]pyrimidin-5-yl]-1-piperidinyl]sulfonyl]benzenesulfonamide IUPAC Name: N-cyclopentyl-4-[4-[3-[(2,6-dichlorophenyl)methyl]-7-oxo-2H-triazolo[4,5-d]pyrimidin-5-yl]piperidin-1-yl]sulfonylbenzenesulfonamide Traditional Name: N-cyclopentyl-4-[4-[3-(2,6-dichlorobenzyl)-7-keto-2H-triazolo[4,5-d]pyrimidin-5-yl]piperidino]sulfonyl-benzenesulfonamide Formula: C27H29Cl2N7O5S2 MolecularWeight: 666.59906

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)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(C1)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/C27H29Cl2N7O5S2/c28-22-6-3-7-23(29)21(22)16-36-26-24(32-34-36)27(37)31-25(30-26)17-12-14-35(15-13-17)43(40,41)20-10-8-19(9-11-20)42(38,39)33-18-4-1-2-5-18/h3,6-11,17-18,33-34H,1-2,4-5,12-16H2