N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide

Systemtic Name: N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide Openeye Name: N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetamide CAS Name: N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetamide IUPAC Name: N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide Traditional Name: N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetamide Formula: C20H23ClN6O5S MolecularWeight: 494.95182

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)Cl

InChI

InChI=1S/C20H23ClN6O5S/c1-24-18-17(19(29)25(2)20(24)30)26(12-22-18)11-16(28)23-15-10-13(6-7-14(15)21)33(31,32)27-8-4-3-5-9-27/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,23,28)