1-(4-propoxyphenyl)sulfonyl-2-(7H-purin-8-yl)piperidine-3-carboxylic acid

Systemtic Name: 1-(4-propoxyphenyl)sulfonyl-2-(7H-purin-8-yl)piperidine-3-carboxylic acid Openeye Name: 1-(4-propoxyphenyl)sulfonyl-2-(7H-purin-8-yl)piperidine-3-carboxylic acid CAS Name: 1-(4-propoxyphenyl)sulfonyl-2-(7H-purin-8-yl)-3-piperidinecarboxylic acid IUPAC Name: 1-(4-propoxyphenyl)sulfonyl-2-(7H-purin-8-yl)piperidine-3-carboxylic acid Traditional Name: 1-(4-propoxyphenyl)sulfonyl-2-(7H-purin-8-yl)nipecotic acid Formula: C20H23N5O5S MolecularWeight: 445.49212

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2C3=NC4=NC=NC=C4N3)C(=O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2C3=NC4=NC=NC=C4N3)C(=O)O

InChI

InChI=1S/C20H23N5O5S/c1-2-10-30-13-5-7-14(8-6-13)31(28,29)25-9-3-4-15(20(26)27)17(25)19-23-16-11-21-12-22-18(16)24-19/h5-8,11-12,15,17H,2-4,9-10H2,1H3,(H,26,27)(H,21,22,23,24)