5-[4-(azepan-1-ylmethyl)piperidin-1-yl]sulfonyl-2-fluoranyl-benzoic acid

Systemtic Name: 5-[4-(azepan-1-ylmethyl)piperidin-1-yl]sulfonyl-2-fluoranyl-benzoic acid Openeye Name: 5-[[4-(azepan-1-ylmethyl)-1-piperidyl]sulfonyl]-2-fluoro-benzoic acid CAS Name: 5-[[4-(1-azepanylmethyl)-1-piperidinyl]sulfonyl]-2-fluorobenzoic acid IUPAC Name: 5-[4-(azepan-1-ylmethyl)piperidin-1-yl]sulfonyl-2-fluorobenzoic acid Traditional Name: 5-[4-(azepan-1-ylmethyl)piperidino]sulfonyl-2-fluoro-benzoic acid Formula: C19H27FN2O4S MolecularWeight: 398.492083

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O

Isomeric SMILES

C1CCCN(CC1)CC2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O

InChI

InChI=1S/C19H27FN2O4S/c20-18-6-5-16(13-17(18)19(23)24)27(25,26)22-11-7-15(8-12-22)14-21-9-3-1-2-4-10-21/h5-6,13,15H,1-4,7-12,14H2,(H,23,24)