2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl 1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl 1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl 1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-2-piperidinecarboxylic acid 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl ester IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: 1-besylpipecolinic acid 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl ester Formula: C21H25N5O6S MolecularWeight: 475.5181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(=O)C3CCCCN3S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(=O)C3CCCCN3S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H25N5O6S/c1-23-18-17(19(27)24(2)21(23)29)25(14-22-18)12-13-32-20(28)16-10-6-7-11-26(16)33(30,31)15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3