1-[4-[(3R)-3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[(3R)-3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[[(3R)-3-[methyl-[2-(2-pyridyl)ethyl]amino]-1-piperidyl]sulfonyl]phenyl]ethanone CAS Name: 1-[4-[[(3R)-3-[methyl-[2-(2-pyridinyl)ethyl]amino]-1-piperidinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[(3R)-3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[(3R)-3-[methyl-[2-(2-pyridyl)ethyl]amino]piperidino]sulfonylphenyl]ethanone Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)N(C)CCC3=CC=CC=N3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H](C2)N(C)CCC3=CC=CC=N3

InChI

InChI=1S/C21H27N3O3S/c1-17(25)18-8-10-21(11-9-18)28(26,27)24-14-5-7-20(16-24)23(2)15-12-19-6-3-4-13-22-19/h3-4,6,8-11,13,20H,5,7,12,14-16H2,1-2H3/t20-/m1/s1