1-[5-[(2-ethoxyphenyl)carbamoyl]-2-fluoranyl-phenyl]sulfonylpiperidine-4-carboxamide

Systemtic Name: 1-[5-[(2-ethoxyphenyl)carbamoyl]-2-fluoranyl-phenyl]sulfonylpiperidine-4-carboxamide Openeye Name: 1-[5-[(2-ethoxyphenyl)carbamoyl]-2-fluoro-phenyl]sulfonylpiperidine-4-carboxamide CAS Name: 1-[5-[(2-ethoxyanilino)-oxomethyl]-2-fluorophenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-[5-[(2-ethoxyphenyl)carbamoyl]-2-fluorophenyl]sulfonylpiperidine-4-carboxamide Traditional Name: 1-[2-fluoro-5-(o-phenetylcarbamoyl)phenyl]sulfonylisonipecotamide Formula: C21H24FN3O5S MolecularWeight: 449.495763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCC(CC3)C(=O)N

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCC(CC3)C(=O)N

InChI

InChI=1S/C21H24FN3O5S/c1-2-30-18-6-4-3-5-17(18)24-21(27)15-7-8-16(22)19(13-15)31(28,29)25-11-9-14(10-12-25)20(23)26/h3-8,13-14H,2,9-12H2,1H3,(H2,23,26)(H,24,27)