(4-methylsulfonylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: (4-methylsulfonylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone Openeye Name: (4-methylsulfonylphenyl)-[4-(4-pyridylmethyl)piperazin-1-yl]methanone CAS Name: (4-methylsulfonylphenyl)-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-methylsulfonylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone Traditional Name: (4-mesylphenyl)-[4-(4-pyridylmethyl)piperazino]methanone Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=NC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=NC=C3

InChI

InChI=1S/C18H21N3O3S/c1-25(23,24)17-4-2-16(3-5-17)18(22)21-12-10-20(11-13-21)14-15-6-8-19-9-7-15/h2-9H,10-14H2,1H3