1-(2-chloranyl-7H-purin-6-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-(2-chloranyl-7H-purin-6-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-(2-chloro-7H-purin-6-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide CAS Name: 1-(2-chloro-7H-purin-6-yl)-N-[(4-sulfamoylphenyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-chloro-7H-purin-6-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-(2-chloro-7H-purin-6-yl)-N-(4-sulfamoylbenzyl)isonipecotamide Formula: C18H20ClN7O3S MolecularWeight: 449.9145

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)C3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)C3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C18H20ClN7O3S/c19-18-24-15-14(22-10-23-15)16(25-18)26-7-5-12(6-8-26)17(27)21-9-11-1-3-13(4-2-11)30(20,28)29/h1-4,10,12H,5-9H2,(H,21,27)(H2,20,28,29)(H,22,23,24,25)