(5-chloranyl-2-methylsulfonyl-pyrimidin-4-yl)-[4-(phenylmethyl)piperidin-1-yl]methanone

Systemtic Name: (5-chloranyl-2-methylsulfonyl-pyrimidin-4-yl)-[4-(phenylmethyl)piperidin-1-yl]methanone Openeye Name: (4-benzyl-1-piperidyl)-(5-chloro-2-methylsulfonyl-pyrimidin-4-yl)methanone CAS Name: (5-chloro-2-methylsulfonyl-4-pyrimidinyl)-[4-(phenylmethyl)-1-piperidinyl]methanone IUPAC Name: (4-benzylpiperidin-1-yl)-(5-chloro-2-methylsulfonylpyrimidin-4-yl)methanone Traditional Name: (4-benzylpiperidino)-(5-chloro-2-mesyl-pyrimidin-4-yl)methanone Formula: C18H20ClN3O3S MolecularWeight: 393.8877

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)N2CCC(CC2)CC3=CC=CC=C3)Cl

Isomeric SMILES

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)N2CCC(CC2)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C18H20ClN3O3S/c1-26(24,25)18-20-12-15(19)16(21-18)17(23)22-9-7-14(8-10-22)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3