N-[4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylpiperidin-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylpiperidin-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1-piperidyl]sulfonyl]phenyl]acetamide CAS Name: N-[4-[[4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1-piperidinyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-[4-(2-pyrimidyl)piperazine-1-carbonyl]piperidino]sulfonylphenyl]acetamide Formula: C22H28N6O4S MolecularWeight: 472.56052

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H28N6O4S/c1-17(29)25-19-3-5-20(6-4-19)33(31,32)28-11-7-18(8-12-28)21(30)26-13-15-27(16-14-26)22-23-9-2-10-24-22/h2-6,9-10,18H,7-8,11-16H2,1H3,(H,25,29)