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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)F)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)C

InChI

InChI=1S/C21H25FN2O4S/c1-14-4-5-17(22)13-19(14)23-21(25)16-8-10-24(11-9-16)29(26,27)18-6-7-20(28-3)15(2)12-18/h4-7,12-13,16H,8-11H2,1-3H3,(H,23,25)