N-(4-ethoxyphenyl)-1-(5-fluoranyl-2-methoxy-phenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(4-ethoxyphenyl)-1-(5-fluoranyl-2-methoxy-phenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(4-ethoxyphenyl)-1-(5-fluoro-2-methoxy-phenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-(4-ethoxyphenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(4-ethoxyphenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: 1-(5-fluoro-2-methoxy-phenyl)sulfonyl-N-p-phenetyl-nipecotamide Formula: C21H25FN2O5S MolecularWeight: 436.497003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=C(C=CC(=C3)F)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C21H25FN2O5S/c1-3-29-18-9-7-17(8-10-18)23-21(25)15-5-4-12-24(14-15)30(26,27)20-13-16(22)6-11-19(20)28-2/h6-11,13,15H,3-5,12,14H2,1-2H3,(H,23,25)