N-(6-ethanoyl-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)sulfonyl-nipecotamide Formula: C21H21FN2O6S MolecularWeight: 448.464643

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)F)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)F)OCO2

InChI

InChI=1S/C21H21FN2O6S/c1-13(25)17-9-19-20(30-12-29-19)10-18(17)23-21(26)14-3-2-8-24(11-14)31(27,28)16-6-4-15(22)5-7-16/h4-7,9-10,14H,2-3,8,11-12H2,1H3,(H,23,26)