1-[3-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]-3-fluoranyl-phenyl]pyridin-2-yl]sulfonyl-N-(2-fluorophenyl)piperidin-4-amine

Systemtic Name: 1-[3-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]-3-fluoranyl-phenyl]pyridin-2-yl]sulfonyl-N-(2-fluorophenyl)piperidin-4-amine Openeye Name: 1-[[3-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]-3-fluoro-phenyl]-2-pyridyl]sulfonyl]-N-(2-fluorophenyl)piperidin-4-amine CAS Name: 1-[[3-[4-[[(3R,5S)-3,5-dimethyl-1-piperazinyl]methyl]-3-fluorophenyl]-2-pyridinyl]sulfonyl]-N-(2-fluorophenyl)-4-piperidinamine IUPAC Name: 1-[3-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]-3-fluorophenyl]pyridin-2-yl]sulfonyl-N-(2-fluorophenyl)piperidin-4-amine Traditional Name: [1-[[3-[4-[[(3R,5S)-3,5-dimethylpiperazino]methyl]-3-fluoro-phenyl]-2-pyridyl]sulfonyl]-4-piperidyl]-(2-fluorophenyl)amine Formula: C29H35F2N5O2S MolecularWeight: 555.682306

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)CC2=C(C=C(C=C2)C3=C(N=CC=C3)S(=O)(=O)N4CCC(CC4)NC5=CC=CC=C5F)F

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1)C)CC2=C(C=C(C=C2)C3=C(N=CC=C3)S(=O)(=O)N4CCC(CC4)NC5=CC=CC=C5F)F

InChI

InChI=1S/C29H35F2N5O2S/c1-20-17-35(18-21(2)33-20)19-23-10-9-22(16-27(23)31)25-6-5-13-32-29(25)39(37,38)36-14-11-24(12-15-36)34-28-8-4-3-7-26(28)30/h3-10,13,16,20-21,24,33-34H,11-12,14-15,17-19H2,1-2H3/t20-,21+