1-(4-propoxyphenyl)sulfonyl-2-(7H-purin-8-yl)piperidine-4-carboxylic acid

Systemtic Name: 1-(4-propoxyphenyl)sulfonyl-2-(7H-purin-8-yl)piperidine-4-carboxylic acid Openeye Name: 1-(4-propoxyphenyl)sulfonyl-2-(7H-purin-8-yl)piperidine-4-carboxylic acid CAS Name: 1-(4-propoxyphenyl)sulfonyl-2-(7H-purin-8-yl)-4-piperidinecarboxylic acid IUPAC Name: 1-(4-propoxyphenyl)sulfonyl-2-(7H-purin-8-yl)piperidine-4-carboxylic acid Traditional Name: 1-(4-propoxyphenyl)sulfonyl-2-(7H-purin-8-yl)isonipecotic acid Formula: C20H23N5O5S MolecularWeight: 445.49212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2C3=NC4=NC=NC=C4N3)C(=O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2C3=NC4=NC=NC=C4N3)C(=O)O

InChI

InChI=1S/C20H23N5O5S/c1-2-9-30-14-3-5-15(6-4-14)31(28,29)25-8-7-13(20(26)27)10-17(25)19-23-16-11-21-12-22-18(16)24-19/h3-6,11-13,17H,2,7-10H2,1H3,(H,26,27)(H,21,22,23,24)