8-[4-[2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperidin-1-yl]sulfonylquinoline

Systemtic Name: 8-[4-[2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperidin-1-yl]sulfonylquinoline Openeye Name: 8-[[4-(5-benzyl-2-methyl-pyrimidin-4-yl)-1-piperidyl]sulfonyl]quinoline CAS Name: 8-[[4-[2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperidinyl]sulfonyl]quinoline IUPAC Name: 8-[4-(5-benzyl-2-methylpyrimidin-4-yl)piperidin-1-yl]sulfonylquinoline Traditional Name: 8-[4-(5-benzyl-2-methyl-pyrimidin-4-yl)piperidino]sulfonylquinoline Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1=NC=C(C(=N1)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H26N4O2S/c1-19-28-18-23(17-20-7-3-2-4-8-20)25(29-19)22-12-15-30(16-13-22)33(31,32)24-11-5-9-21-10-6-14-27-26(21)24/h2-11,14,18,22H,12-13,15-17H2,1H3