(2-methyl-5-methylsulfonyl-phenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: (2-methyl-5-methylsulfonyl-phenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone Openeye Name: (2-methyl-5-methylsulfonyl-phenyl)-[4-(4-pyridylmethyl)piperazin-1-yl]methanone CAS Name: (2-methyl-5-methylsulfonylphenyl)-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methanone IUPAC Name: (2-methyl-5-methylsulfonylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone Traditional Name: (5-mesyl-2-methyl-phenyl)-[4-(4-pyridylmethyl)piperazino]methanone Formula: C19H23N3O3S MolecularWeight: 373.46922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)CC3=CC=NC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)CC3=CC=NC=C3

InChI

InChI=1S/C19H23N3O3S/c1-15-3-4-17(26(2,24)25)13-18(15)19(23)22-11-9-21(10-12-22)14-16-5-7-20-8-6-16/h3-8,13H,9-12,14H2,1-2H3