(3R)-1-(4-ethoxyphenyl)sulfonyl-N-(3-fluoranyl-4-methyl-phenyl)piperidine-3-carboxamide

Systemtic Name: (3R)-1-(4-ethoxyphenyl)sulfonyl-N-(3-fluoranyl-4-methyl-phenyl)piperidine-3-carboxamide Openeye Name: (3R)-1-(4-ethoxyphenyl)sulfonyl-N-(3-fluoro-4-methyl-phenyl)piperidine-3-carboxamide CAS Name: (3R)-1-(4-ethoxyphenyl)sulfonyl-N-(3-fluoro-4-methylphenyl)-3-piperidinecarboxamide IUPAC Name: (3R)-1-(4-ethoxyphenyl)sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide Traditional Name: (3R)-N-(3-fluoro-4-methyl-phenyl)-1-p-phenetylsulfonyl-nipecotamide Formula: C21H25FN2O4S MolecularWeight: 420.497603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC(=C(C=C3)C)F

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H](C2)C(=O)NC3=CC(=C(C=C3)C)F

InChI

InChI=1S/C21H25FN2O4S/c1-3-28-18-8-10-19(11-9-18)29(26,27)24-12-4-5-16(14-24)21(25)23-17-7-6-15(2)20(22)13-17/h6-11,13,16H,3-5,12,14H2,1-2H3,(H,23,25)/t16-/m1/s1