4-(4-ethenylphenyl)sulfonyl-1-[(4-oxidanyl-1-pyrimidin-4-yl-piperidin-4-yl)methyl]piperazin-2-one

Systemtic Name: 4-(4-ethenylphenyl)sulfonyl-1-[(4-oxidanyl-1-pyrimidin-4-yl-piperidin-4-yl)methyl]piperazin-2-one Openeye Name: 1-[(4-hydroxy-1-pyrimidin-4-yl-4-piperidyl)methyl]-4-(4-vinylphenyl)sulfonyl-piperazin-2-one CAS Name: 4-(4-ethenylphenyl)sulfonyl-1-[[4-hydroxy-1-(4-pyrimidinyl)-4-piperidinyl]methyl]-2-piperazinone IUPAC Name: 4-(4-ethenylphenyl)sulfonyl-1-[(4-hydroxy-1-pyrimidin-4-ylpiperidin-4-yl)methyl]piperazin-2-one Traditional Name: 1-[[4-hydroxy-1-(4-pyrimidyl)-4-piperidyl]methyl]-4-(4-vinylphenyl)sulfonyl-piperazin-2-one Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C(=O)C2)CC3(CCN(CC3)C4=NC=NC=C4)O

Isomeric SMILES

C=CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C(=O)C2)CC3(CCN(CC3)C4=NC=NC=C4)O

InChI

InChI=1S/C22H27N5O4S/c1-2-18-3-5-19(6-4-18)32(30,31)27-14-13-26(21(28)15-27)16-22(29)8-11-25(12-9-22)20-7-10-23-17-24-20/h2-7,10,17,29H,1,8-9,11-16H2