5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoranyl-N-heptyl-benzamide

Systemtic Name: 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoranyl-N-heptyl-benzamide Openeye Name: 5-[(3,5-dimethyl-1-piperidyl)sulfonyl]-2-fluoro-N-heptyl-benzamide CAS Name: 5-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-2-fluoro-N-heptylbenzamide IUPAC Name: 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-N-heptylbenzamide Traditional Name: 5-(3,5-dimethylpiperidino)sulfonyl-2-fluoro-N-heptyl-benzamide Formula: C21H33FN2O3S MolecularWeight: 412.561723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CC(CC(C2)C)C)F

Isomeric SMILES

CCCCCCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CC(CC(C2)C)C)F

InChI

InChI=1S/C21H33FN2O3S/c1-4-5-6-7-8-11-23-21(25)19-13-18(9-10-20(19)22)28(26,27)24-14-16(2)12-17(3)15-24/h9-10,13,16-17H,4-8,11-12,14-15H2,1-3H3,(H,23,25)