N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-fluorophenyl)sulfonyl-isonipecotamide Formula: C21H23FN2O5S MolecularWeight: 434.481123

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)OC1

InChI

InChI=1S/C21H23FN2O5S/c22-16-2-5-18(6-3-16)30(26,27)24-10-8-15(9-11-24)21(25)23-17-4-7-19-20(14-17)29-13-1-12-28-19/h2-7,14-15H,1,8-13H2,(H,23,25)