[4-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-pyridin-4-yl-methanone

Systemtic Name: [4-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidyl]piperazin-1-yl]-(4-pyridyl)methanone CAS Name: [4-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidinyl]-1-piperazinyl]-pyridin-4-ylmethanone IUPAC Name: [4-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone Traditional Name: [4-[1-(2-mesylbenzyl)-4-piperidyl]piperazino]-(4-pyridyl)methanone Formula: C23H30N4O3S MolecularWeight: 442.5743

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1CN2CCC(CC2)N3CCN(CC3)C(=O)C4=CC=NC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1CN2CCC(CC2)N3CCN(CC3)C(=O)C4=CC=NC=C4

InChI

InChI=1S/C23H30N4O3S/c1-31(29,30)22-5-3-2-4-20(22)18-25-12-8-21(9-13-25)26-14-16-27(17-15-26)23(28)19-6-10-24-11-7-19/h2-7,10-11,21H,8-9,12-18H2,1H3