(2-methyl-5-methylsulfonyl-phenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone

Systemtic Name: (2-methyl-5-methylsulfonyl-phenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone Openeye Name: (2-methyl-5-methylsulfonyl-phenyl)-[4-(4-pyridyl)piperazin-1-yl]methanone CAS Name: (2-methyl-5-methylsulfonylphenyl)-(4-pyridin-4-yl-1-piperazinyl)methanone IUPAC Name: (2-methyl-5-methylsulfonylphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone Traditional Name: (5-mesyl-2-methyl-phenyl)-[4-(4-pyridyl)piperazino]methanone Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C18H21N3O3S/c1-14-3-4-16(25(2,23)24)13-17(14)18(22)21-11-9-20(10-12-21)15-5-7-19-8-6-15/h3-8,13H,9-12H2,1-2H3