[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [3-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [3-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [3-[(3S,5S)-3,5-dimethylpiperidino]sulfonylphenyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C22H29N5O3S MolecularWeight: 443.56236

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C22H29N5O3S/c1-17-13-18(2)16-27(15-17)31(29,30)20-6-3-5-19(14-20)21(28)25-9-11-26(12-10-25)22-23-7-4-8-24-22/h3-8,14,17-18H,9-13,15-16H2,1-2H3/t17-,18-/m0/s1