(3-fluorophenyl)methyl-[(1-propylsulfonyl-4-pyridin-2-yl-piperidin-4-yl)methyl]carbamic acid

Systemtic Name: (3-fluorophenyl)methyl-[(1-propylsulfonyl-4-pyridin-2-yl-piperidin-4-yl)methyl]carbamic acid Openeye Name: (3-fluorophenyl)methyl-[[1-propylsulfonyl-4-(2-pyridyl)-4-piperidyl]methyl]carbamic acid CAS Name: (3-fluorophenyl)methyl-[[1-propylsulfonyl-4-(2-pyridinyl)-4-piperidinyl]methyl]carbamic acid IUPAC Name: (3-fluorophenyl)methyl-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]carbamic acid Traditional Name: (3-fluorobenzyl)-[[1-propylsulfonyl-4-(2-pyridyl)-4-piperidyl]methyl]carbamic acid Formula: C22H28FN3O4S MolecularWeight: 449.538823

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC(CC1)(CN(CC2=CC(=CC=C2)F)C(=O)O)C3=CC=CC=N3

Isomeric SMILES

CCCS(=O)(=O)N1CCC(CC1)(CN(CC2=CC(=CC=C2)F)C(=O)O)C3=CC=CC=N3

InChI

InChI=1S/C22H28FN3O4S/c1-2-14-31(29,30)26-12-9-22(10-13-26,20-8-3-4-11-24-20)17-25(21(27)28)16-18-6-5-7-19(23)15-18/h3-8,11,15H,2,9-10,12-14,16-17H2,1H3,(H,27,28)