N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide

Systemtic Name: N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide Openeye Name: N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide CAS Name: N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-[4-(2-pyrimidinyl)-1-piperazinyl]acetamide IUPAC Name: N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide Traditional Name: N-(4-methoxy-3-piperidinosulfonyl-phenyl)-2-[4-(2-pyrimidyl)piperazino]acetamide Formula: C22H30N6O4S MolecularWeight: 474.5764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)C3=NC=CC=N3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)C3=NC=CC=N3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H30N6O4S/c1-32-19-7-6-18(16-20(19)33(30,31)28-10-3-2-4-11-28)25-21(29)17-26-12-14-27(15-13-26)22-23-8-5-9-24-22/h5-9,16H,2-4,10-15,17H2,1H3,(H,25,29)