4-chloranyl-N-[[5-(4-purin-9-ylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]benzamide

Systemtic Name: 4-chloranyl-N-[[5-(4-purin-9-ylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]benzamide Openeye Name: 4-chloro-N-[[5-[(4-purin-9-yl-1-piperidyl)sulfonyl]-2-thienyl]methyl]benzamide CAS Name: 4-chloro-N-[[5-[[4-(9-purinyl)-1-piperidinyl]sulfonyl]-2-thiophenyl]methyl]benzamide IUPAC Name: 4-chloro-N-[[5-(4-purin-9-ylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]benzamide Traditional Name: 4-chloro-N-[[5-(4-purin-9-ylpiperidino)sulfonyl-2-thienyl]methyl]benzamide Formula: C22H21ClN6O3S2 MolecularWeight: 517.02354

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C=NC3=CN=CN=C32)S(=O)(=O)C4=CC=C(S4)CNC(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCC1N2C=NC3=CN=CN=C32)S(=O)(=O)C4=CC=C(S4)CNC(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H21ClN6O3S2/c23-16-3-1-15(2-4-16)22(30)25-11-18-5-6-20(33-18)34(31,32)28-9-7-17(8-10-28)29-14-27-19-12-24-13-26-21(19)29/h1-6,12-14,17H,7-11H2,(H,25,30)