(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [2-chloro-5-(1-piperidylsulfonyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [2-chloro-5-(1-piperidinylsulfonyl)phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (2-chloro-5-piperidin-1-ylsulfonylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (2-chloro-5-piperidinosulfonyl-phenyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C20H24ClN5O3S MolecularWeight: 449.95426

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H24ClN5O3S/c21-18-6-5-16(30(28,29)26-9-2-1-3-10-26)15-17(18)19(27)24-11-13-25(14-12-24)20-22-7-4-8-23-20/h4-8,15H,1-3,9-14H2