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

Systemtic Name: N-(4-ethylphenyl)-1-(5-fluoranyl-2-methoxy-phenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(4-ethylphenyl)-1-(5-fluoro-2-methoxy-phenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-(4-ethylphenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(4-ethylphenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(4-ethylphenyl)-1-(5-fluoro-2-methoxy-phenyl)sulfonyl-nipecotamide Formula: C21H25FN2O4S MolecularWeight: 420.497603

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=C(C=CC(=C3)F)OC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=C(C=CC(=C3)F)OC

InChI

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