5-methylsulfonyl-N-[1-(7H-purin-6-yl)piperidin-3-yl]-2,3-dihydroindole-1-carboxamide

Systemtic Name: 5-methylsulfonyl-N-[1-(7H-purin-6-yl)piperidin-3-yl]-2,3-dihydroindole-1-carboxamide Openeye Name: 5-methylsulfonyl-N-[1-(7H-purin-6-yl)-3-piperidyl]indoline-1-carboxamide CAS Name: 5-methylsulfonyl-N-[1-(7H-purin-6-yl)-3-piperidinyl]-2,3-dihydroindole-1-carboxamide IUPAC Name: 5-methylsulfonyl-N-[1-(7H-purin-6-yl)piperidin-3-yl]-2,3-dihydroindole-1-carboxamide Traditional Name: 5-mesyl-N-[1-(7H-purin-6-yl)-3-piperidyl]indoline-1-carboxamide Formula: C20H23N7O3S MolecularWeight: 441.50672

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N(CC2)C(=O)NC3CCCN(C3)C4=NC=NC5=C4NC=N5

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N(CC2)C(=O)NC3CCCN(C3)C4=NC=NC5=C4NC=N5

InChI

InChI=1S/C20H23N7O3S/c1-31(29,30)15-4-5-16-13(9-15)6-8-27(16)20(28)25-14-3-2-7-26(10-14)19-17-18(22-11-21-17)23-12-24-19/h4-5,9,11-12,14H,2-3,6-8,10H2,1H3,(H,25,28)(H,21,22,23,24)