N-(2-phenoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-(pyrimidin-2-ylamino)propanamide

Systemtic Name: N-(2-phenoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-(pyrimidin-2-ylamino)propanamide Openeye Name: N-[2-phenoxy-5-(1-piperidylsulfonyl)phenyl]-3-(pyrimidin-2-ylamino)propanamide CAS Name: N-[2-phenoxy-5-(1-piperidinylsulfonyl)phenyl]-3-(2-pyrimidinylamino)propanamide IUPAC Name: N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)-3-(pyrimidin-2-ylamino)propanamide Traditional Name: N-(2-phenoxy-5-piperidinosulfonyl-phenyl)-3-(2-pyrimidylamino)propionamide Formula: C24H27N5O4S MolecularWeight: 481.56728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC=C3)NC(=O)CCNC4=NC=CC=N4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC=C3)NC(=O)CCNC4=NC=CC=N4

InChI

InChI=1S/C24H27N5O4S/c30-23(12-15-27-24-25-13-7-14-26-24)28-21-18-20(34(31,32)29-16-5-2-6-17-29)10-11-22(21)33-19-8-3-1-4-9-19/h1,3-4,7-11,13-14,18H,2,5-6,12,15-17H2,(H,28,30)(H,25,26,27)